![N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine structure](/static/products/956/956567-77-4.png)
N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine
TL;DR: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine (CAS 956567-77-4) is a chemical compound with molecular formula C18H22ClN3O4 and molecular weight 379.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]propanoic acid
Also Known As: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine, 2-[[2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]propanoic Acid, (2S)-2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]propanoic acid, (S)-2-((S)-2-(5-chloro-1-methyl-1H-indole-2-carboxamido)-3-methylbutanamido)propanoic acid
| Molecular Formula | C18H22ClN3O4 |
|---|---|
| Molecular Weight | 379.13 g/mol |
| LogP | 2.1754 |
| Topological Polar Surface Area | 100.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.12988 |
| Heavy Atoms | 26 |
| Complexity | 859.4834 |
Chemical Identifiers
| CAS Number | 956567-77-4 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl |
Product Overview
N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine (CAS 956567-77-4), with molecular formula C18H22ClN3O4 and molecular weight 379.13 g/mol. IUPAC: (2S)-2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]propanoic acid.
Chemical Property Profile of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine
Property Insights of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine
The XLogP value of 2.1754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine. The TPSA of 100.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine. Following Lipinski's Rule of Five, N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine?
The CAS number of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine is 956567-77-4.
What is the molecular formula of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine?
The molecular formula of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine is C18H22ClN3O4.
What is the molecular weight of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine?
The molecular weight of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine is 379.13 g/mol.
Where can I buy N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine?
You can request a quote for N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-valyl-L-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.