BAS 00732952
TL;DR: BAS 00732952 (CAS 303971-17-7) is a chemical compound with molecular formula C16H17ClN4O3S and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 00732952, 7-(4-chlorobenzyl)-8-((2-hydroxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, AB00667682-01, F0373-1025, 7-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C16H17ClN4O3S |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 1.2198 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.07098 |
| Heavy Atoms | 25 |
| Complexity | 1036.6901 |
Chemical Identifiers
| CAS Number | 303971-17-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCO)CC3=CC=C(C=C3)Cl |
Product Overview
BAS 00732952 (CAS 303971-17-7), with molecular formula C16H17ClN4O3S and molecular weight 380.07 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-(2-hydroxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 00732952
Property Insights of BAS 00732952
The XLogP value of 1.2198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00732952. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00732952. Following Lipinski's Rule of Five, BAS 00732952 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 BAS 00732952?
The CAS number of BAS 00732952 is 303971-17-7.
What is the molecular formula of BAS 00732952?
The molecular formula of BAS 00732952 is C16H17ClN4O3S.
What is the molecular weight of BAS 00732952?
The molecular weight of BAS 00732952 is 380.07 g/mol.
Where can I buy BAS 00732952?
You can request a quote for BAS 00732952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00732952?
Yes, KEHONG BIO provides custom synthesis services for BAS 00732952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.