AB00682948-01
TL;DR: AB00682948-01 (CAS 710967-62-7) is a chemical compound with molecular formula C15H12Cl2N4O3S and molecular weight 398.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: AB00682948-01, 8-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione, 8-[2-(3,4-dichlorophenyl)-2-oxoethylthio]-1,3-dimethyl-1,3-dihydropurine-2,6-d ione, 8-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione, 8-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C15H12Cl2N4O3S |
|---|---|
| Molecular Weight | 398.00 g/mol |
| LogP | 2.2421 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0007 |
| Heavy Atoms | 25 |
| Complexity | 1116.3876 |
Chemical Identifiers
| CAS Number | 710967-62-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
AB00682948-01 (CAS 710967-62-7), with molecular formula C15H12Cl2N4O3S and molecular weight 398.00 g/mol. IUPAC: 8-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of AB00682948-01
Property Insights of AB00682948-01
The XLogP value of 2.2421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00682948-01. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00682948-01. Following Lipinski's Rule of Five, AB00682948-01 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 AB00682948-01?
The CAS number of AB00682948-01 is 710967-62-7.
What is the molecular formula of AB00682948-01?
The molecular formula of AB00682948-01 is C15H12Cl2N4O3S.
What is the molecular weight of AB00682948-01?
The molecular weight of AB00682948-01 is 398.00 g/mol.
Where can I buy AB00682948-01?
You can request a quote for AB00682948-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682948-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682948-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.