sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens Boc-3,4-dichloro-l-phenylalanine

Boc-3,4-dichloro-l-phenylalanine

CAS No.:
80741-39-5
Catalog Number:
AG0036GK
Molecular Formula:
C14H17Cl2NO4
Molecular Weight:
334.1951
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$67
- +
5g
97%
In Stock USA
United States
$200
- +
10g
97%
In Stock USA
United States
$370
- +
25g
97%
In Stock USA
United States
$760
- +
Product Description
Catalog Number:
AG0036GK
Chemical Name:
Boc-3,4-dichloro-l-phenylalanine
CAS Number:
80741-39-5
Molecular Formula:
C14H17Cl2NO4
Molecular Weight:
334.1951
MDL Number:
MFCD00273436
IUPAC Name:
(2S)-3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)7-8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChI Key:
UGZIQCCPEDCGGN-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
333.053g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
334.193g/mol
Monoisotopic Mass:
333.053g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Stereoselective preparation of N-[(R,R)-(E)-1-(3,4-dichlorobenzyl)-3- (2-oxoazepan-3-yl)carbamoyl]allyl-N-methyl-3,5-bis(trifluoromethyl)benzamide, a potent and orally active dual neurokinin NK(1)/NK(2) receptor antagonist. Journal of medicinal chemistry 20030731
Properties