N-Indomethacyl-D,L-beta-phenylalanine
TL;DR: N-Indomethacyl-D,L-beta-phenylalanine (CAS 76823-26-2) is a chemical compound with molecular formula C28H25ClN2O5 and molecular weight 504.15 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]-3-phenylpropanoic acid
Also Known As: N-Indomethacyl-D,L-beta-phenylalanine, J3.350.244C, DL-N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-phenylalanine, Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-phenyl-, DL-, DL-Phenylalanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-
| Molecular Formula | C28H25ClN2O5 |
|---|---|
| Molecular Weight | 504.15 g/mol |
| LogP | 4.65482 |
| Topological Polar Surface Area | 97.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.1452 |
| Heavy Atoms | 36 |
| Complexity | 1428.1097 |
Chemical Identifiers
| CAS Number | 76823-26-2 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O |
Product Overview
N-Indomethacyl-D,L-beta-phenylalanine (CAS 76823-26-2), with molecular formula C28H25ClN2O5 and molecular weight 504.15 g/mol. IUPAC: (2S)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of N-Indomethacyl-D,L-beta-phenylalanine
Property Insights of N-Indomethacyl-D,L-beta-phenylalanine
The XLogP value of 4.65482 indicates that N-Indomethacyl-D,L-beta-phenylalanine 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-D,L-beta-phenylalanine. Following Lipinski's Rule of Five, N-Indomethacyl-D,L-beta-phenylalanine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Indomethacyl-D,L-beta-phenylalanine?
The CAS number of N-Indomethacyl-D,L-beta-phenylalanine is 76823-26-2.
What is the molecular formula of N-Indomethacyl-D,L-beta-phenylalanine?
The molecular formula of N-Indomethacyl-D,L-beta-phenylalanine is C28H25ClN2O5.
What is the molecular weight of N-Indomethacyl-D,L-beta-phenylalanine?
The molecular weight of N-Indomethacyl-D,L-beta-phenylalanine is 504.15 g/mol.
Where can I buy N-Indomethacyl-D,L-beta-phenylalanine?
You can request a quote for N-Indomethacyl-D,L-beta-phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Indomethacyl-D,L-beta-phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-Indomethacyl-D,L-beta-phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.