Home Other Building Blocks Ido-in-4

Ido-in-4

CAS No.:
1629125-65-0
Catalog Number:
AG00ABSH
Molecular Formula:
C26H35N3O3
Molecular Weight:
437.5744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
99%
1 week
United States
$440
- +
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$1057
- +
50mg
99%
1 week
United States
$3057
- +
Product Description
Catalog Number:
AG00ABSH
Chemical Name:
Ido-in-4
CAS Number:
1629125-65-0
Molecular Formula:
C26H35N3O3
Molecular Weight:
437.5744
MDL Number:
MFCD29924711
IUPAC Name:
(1R,2S)-2-[4-[bis(2-methylpropyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C26H35N3O3/c1-16(2)14-29(15-17(3)4)24-11-8-19(21-13-22(21)25(30)31)12-23(24)28-26(32)27-20-9-6-18(5)7-10-20/h6-12,16-17,21-22H,13-15H2,1-5H3,(H,30,31)(H2,27,28,32)/t21-,22-/m1/s1
InChI Key:
VZYCPKLOYXSKAB-FGZHOGPDSA-N
SMILES:
CC(CN(c1ccc(cc1NC(=O)Nc1ccc(cc1)C)[C@H]1C[C@H]1C(=O)O)CC(C)C)C
Properties
Complexity:
620  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
437.268g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
437.584g/mol
Monoisotopic Mass:
437.268g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties