Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-
TL;DR: Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL- (CAS 76812-17-4) is a chemical compound with molecular formula C22H21ClN2O5 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
Also Known As: N-Indomethacyl-D,L-alanine, Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-, J3.350.242G, N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-DL-alanine, (2S)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
| Molecular Formula | C22H21ClN2O5 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 3.43202 |
| Topological Polar Surface Area | 97.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.1139 |
| Heavy Atoms | 30 |
| Complexity | 1134.6306 |
Chemical Identifiers
| CAS Number | 76812-17-4 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N[C@@H](C)C(=O)O |
Product Overview
Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL- (CAS 76812-17-4), with molecular formula C22H21ClN2O5 and molecular weight 428.11 g/mol. IUPAC: (2S)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]propanoic acid.
Chemical Property Profile of Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-
Property Insights of Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-
The XLogP value of 3.43202 indicates that Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-. Following Lipinski's Rule of Five, Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL- has 2 hydrogen bond donor(s) and 4 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 Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-?
The CAS number of Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL- is 76812-17-4.
What is the molecular formula of Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-?
The molecular formula of Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL- is C22H21ClN2O5.
What is the molecular weight of Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-?
The molecular weight of Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL- is 428.11 g/mol.
Where can I buy Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-?
You can request a quote for Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.