AJ-292/13607124
TL;DR: AJ-292/13607124 (CAS 330864-75-0) is a chemical compound with molecular formula C21H19ClN2O5S and molecular weight 446.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: AJ-292/13607124, A2336/0098593, ethyl 4-[3-({2-[(4-chlorophenyl)amino]-2-oxoethyl}thio)-2,5-dioxopyrrolidin-1-yl]benzoate, ETHYL 4-[3-({[(4-CHLOROPHENYL)CARBAMOYL]METHYL}SULFANYL)-2,5-DIOXOPYRROLIDIN-1-YL]BENZOATE, ethyl 4-[3-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate
| Molecular Formula | C21H19ClN2O5S |
|---|---|
| Molecular Weight | 446.07 g/mol |
| LogP | 3.5205 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.0703 |
| Heavy Atoms | 30 |
| Complexity | 962.36694 |
Chemical Identifiers
| CAS Number | 330864-75-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(=O)NC3=CC=C(C=C3)Cl |
Product Overview
AJ-292/13607124 (CAS 330864-75-0), with molecular formula C21H19ClN2O5S and molecular weight 446.07 g/mol. IUPAC: ethyl 4-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of AJ-292/13607124
Property Insights of AJ-292/13607124
The XLogP value of 3.5205 indicates that AJ-292/13607124 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/13607124. Following Lipinski's Rule of Five, AJ-292/13607124 has 1 hydrogen bond donor(s) and 6 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 AJ-292/13607124?
The CAS number of AJ-292/13607124 is 330864-75-0.
What is the molecular formula of AJ-292/13607124?
The molecular formula of AJ-292/13607124 is C21H19ClN2O5S.
What is the molecular weight of AJ-292/13607124?
The molecular weight of AJ-292/13607124 is 446.07 g/mol.
Where can I buy AJ-292/13607124?
You can request a quote for AJ-292/13607124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13607124?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13607124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.