BAS 00732958
TL;DR: BAS 00732958 (CAS 303971-23-5) is a chemical compound with molecular formula C16H16ClN5O3S and molecular weight 393.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide
Also Known As: BAS 00732958, AB00684230-01, AB00684230-02, 2-((7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide, 2-{[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
| Molecular Formula | C16H16ClN5O3S |
|---|---|
| Molecular Weight | 393.07 g/mol |
| LogP | 0.7128 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.06622 |
| Heavy Atoms | 26 |
| Complexity | 1114.0912 |
Chemical Identifiers
| CAS Number | 303971-23-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N)CC3=CC=C(C=C3)Cl |
Product Overview
BAS 00732958 (CAS 303971-23-5), with molecular formula C16H16ClN5O3S and molecular weight 393.07 g/mol. IUPAC: 2-[7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide.
Chemical Property Profile of BAS 00732958
Property Insights of BAS 00732958
The XLogP value of 0.7128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00732958. The TPSA of 104.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00732958. Following Lipinski's Rule of Five, BAS 00732958 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 00732958?
The CAS number of BAS 00732958 is 303971-23-5.
What is the molecular formula of BAS 00732958?
The molecular formula of BAS 00732958 is C16H16ClN5O3S.
What is the molecular weight of BAS 00732958?
The molecular weight of BAS 00732958 is 393.07 g/mol.
Where can I buy BAS 00732958?
You can request a quote for BAS 00732958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00732958?
Yes, KEHONG BIO provides custom synthesis services for BAS 00732958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.