![(2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid structure](/static/products/956/956438-16-7.png)
(2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid
TL;DR: (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid (CAS 956438-16-7) is a chemical compound with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]-2-phenylacetic acid
Also Known As: (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid, (R)-2-((S)-2-(5-chloro-1-methyl-1H-indole-2-carboxamido)propanamido)-2-phenylacetic acid, 2-[2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]propanoylamino]-2-phenyl-acetic Acid, (2R)-2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]-2-phenylacetic acid
| Molecular Formula | C21H20ClN3O4 |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 2.8921 |
| Topological Polar Surface Area | 100.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.11423 |
| Heavy Atoms | 29 |
| Complexity | 1078.2246 |
Chemical Identifiers
| CAS Number | 956438-16-7 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@H](C1=CC=CC=C1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)Cl |
Product Overview
(2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid (CAS 956438-16-7), with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol. IUPAC: (2R)-2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]-2-phenylacetic acid.
Chemical Property Profile of (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid
Property Insights of (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid
The XLogP value of 2.8921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid. The TPSA of 100.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid. Following Lipinski's Rule of Five, (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid 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 (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid?
The CAS number of (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid is 956438-16-7.
What is the molecular formula of (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid?
The molecular formula of (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid is C21H20ClN3O4.
What is the molecular weight of (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid?
The molecular weight of (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid is 413.11 g/mol.
Where can I buy (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid?
You can request a quote for (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R)-({N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-alanyl}amino)(phenyl)ethanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.