N-Indomethacyl-S-methylcysteine
TL;DR: N-Indomethacyl-S-methylcysteine (CAS 87270-38-0) is a chemical compound with molecular formula C23H23ClN2O5S and molecular weight 474.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-methylsulfanylpropanoic acid
Also Known As: N-Indomethacyl-S-methylcysteine, Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)-, L-Cysteine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-S-methyl-, N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)alanine, N-{[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}-S-methyl-L-cysteine
| Molecular Formula | C23H23ClN2O5S |
|---|---|
| Molecular Weight | 474.10 g/mol |
| LogP | 3.77512 |
| Topological Polar Surface Area | 97.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.10162 |
| Heavy Atoms | 32 |
| Complexity | 1173.3386 |
Chemical Identifiers
| CAS Number | 87270-38-0 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N[C@@H](CSC)C(=O)O |
Product Overview
N-Indomethacyl-S-methylcysteine (CAS 87270-38-0), with molecular formula C23H23ClN2O5S and molecular weight 474.10 g/mol. IUPAC: (2R)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-methylsulfanylpropanoic acid.
Chemical Property Profile of N-Indomethacyl-S-methylcysteine
Property Insights of N-Indomethacyl-S-methylcysteine
The XLogP value of 3.77512 indicates that N-Indomethacyl-S-methylcysteine 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 N-Indomethacyl-S-methylcysteine. Following Lipinski's Rule of Five, N-Indomethacyl-S-methylcysteine has 2 hydrogen bond donor(s) and 5 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-Indomethacyl-S-methylcysteine?
The CAS number of N-Indomethacyl-S-methylcysteine is 87270-38-0.
What is the molecular formula of N-Indomethacyl-S-methylcysteine?
The molecular formula of N-Indomethacyl-S-methylcysteine is C23H23ClN2O5S.
What is the molecular weight of N-Indomethacyl-S-methylcysteine?
The molecular weight of N-Indomethacyl-S-methylcysteine is 474.10 g/mol.
Where can I buy N-Indomethacyl-S-methylcysteine?
You can request a quote for N-Indomethacyl-S-methylcysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Indomethacyl-S-methylcysteine?
Yes, KEHONG BIO provides custom synthesis services for N-Indomethacyl-S-methylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.