AB00684247-01
TL;DR: AB00684247-01 (CAS 313470-92-7) is a chemical compound with molecular formula C17H17ClN4O4S and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
Also Known As: AB00684247-01, F0381-4739, 3-((7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoic acid, 3-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid, 3-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylpropanoic Acid
| Molecular Formula | C17H17ClN4O4S |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 1.7022 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.06592 |
| Heavy Atoms | 27 |
| Complexity | 1131.0165 |
Chemical Identifiers
| CAS Number | 313470-92-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCC(=O)O)CC3=CC=C(C=C3)Cl |
Product Overview
AB00684247-01 (CAS 313470-92-7), with molecular formula C17H17ClN4O4S and molecular weight 408.07 g/mol. IUPAC: 3-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid.
Chemical Property Profile of AB00684247-01
Property Insights of AB00684247-01
The XLogP value of 1.7022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684247-01. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684247-01. Following Lipinski's Rule of Five, AB00684247-01 has 1 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 AB00684247-01?
The CAS number of AB00684247-01 is 313470-92-7.
What is the molecular formula of AB00684247-01?
The molecular formula of AB00684247-01 is C17H17ClN4O4S.
What is the molecular weight of AB00684247-01?
The molecular weight of AB00684247-01 is 408.07 g/mol.
Where can I buy AB00684247-01?
You can request a quote for AB00684247-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684247-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684247-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.