Home Other Building Blocks TCV-309 (chloride)

TCV-309 (chloride)

CAS No.:
121494-09-5
Catalog Number:
AG009CNS
Molecular Formula:
C30H34BrClN4O4
Molecular Weight:
629.9724
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$307
- +
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG009CNS
Chemical Name:
TCV-309 (chloride)
CAS Number:
121494-09-5
Molecular Formula:
C30H34BrClN4O4
Molecular Weight:
629.9724
MDL Number:
MFCD30343857
IUPAC Name:
2-[3-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl 3,4-dihydro-1H-isoquinoline-2-carboxylate;chloride
InChI:
InChI=1S/C30H33BrN4O4.ClH/c1-2-15-33-20-25(19-26(31)22-33)29(37)35(27-10-4-3-5-11-27)17-13-28(36)32-14-18-39-30(38)34-16-12-23-8-6-7-9-24(23)21-34;/h3-11,19-20,22H,2,12-18,21H2,1H3;1H
InChI Key:
HBWMSZWQSYEBPL-UHFFFAOYSA-N
SMILES:
CCC[n+]1cc(Br)cc(c1)C(=O)N(c1ccccc1)CCC(=O)NCCOC(=O)N1CCc2c(C1)cccc2.[Cl-]
Properties
Complexity:
808  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
628.145g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
629.98g/mol
Monoisotopic Mass:
628.145g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties