A3693/0156711
TL;DR: A3693/0156711 (CAS 704875-02-5) is a chemical compound with molecular formula C24H22ClN5O5S and molecular weight 527.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetyl]amino]benzoate
Also Known As: A3693/0156711, methyl 2-[({[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]benzoate, Methyl 2-[[2-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]acetyl]amino]benzoate, Methyl 2-((2-((7-((2-chlorophenyl)methyl)-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)acetyl)amino)benzoate, METHYL 2-[(2-{[7-(2-CHLOROBENZYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETYL)AMINO]BENZOATE
| Molecular Formula | C24H22ClN5O5S |
|---|---|
| Molecular Weight | 527.10 g/mol |
| LogP | 2.6528 |
| Topological Polar Surface Area | 117.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.103 |
| Heavy Atoms | 36 |
| Complexity | 1606.9733 |
Chemical Identifiers
| CAS Number | 704875-02-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC)CC4=CC=CC=C4Cl |
Product Overview
A3693/0156711 (CAS 704875-02-5), with molecular formula C24H22ClN5O5S and molecular weight 527.10 g/mol. IUPAC: methyl 2-[[2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of A3693/0156711
Property Insights of A3693/0156711
The XLogP value of 2.6528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3693/0156711. The TPSA of 117.22 Ų falls within the moderate polarity range, balancing permeability and solubility for A3693/0156711. Following Lipinski's Rule of Five, A3693/0156711 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3693/0156711?
The CAS number of A3693/0156711 is 704875-02-5.
What is the molecular formula of A3693/0156711?
The molecular formula of A3693/0156711 is C24H22ClN5O5S.
What is the molecular weight of A3693/0156711?
The molecular weight of A3693/0156711 is 527.10 g/mol.
Where can I buy A3693/0156711?
You can request a quote for A3693/0156711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3693/0156711?
Yes, KEHONG BIO provides custom synthesis services for A3693/0156711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.