BAS 00732904
TL;DR: BAS 00732904 (CAS 303969-38-2) is a chemical compound with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: BAS 00732904, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(2-phenylethyl)purine-2,6-dione, 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-phenethylpurine-2,6-dione, 8-((3-chloro-2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H19ClN4O3S |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 1.3578 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.08664 |
| Heavy Atoms | 26 |
| Complexity | 1012.50525 |
Chemical Identifiers
| CAS Number | 303969-38-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CCC3=CC=CC=C3 |
Product Overview
BAS 00732904 (CAS 303969-38-2), with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol. IUPAC: 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of BAS 00732904
Property Insights of BAS 00732904
The XLogP value of 1.3578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00732904. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00732904. Following Lipinski's Rule of Five, BAS 00732904 has 2 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 00732904?
The CAS number of BAS 00732904 is 303969-38-2.
What is the molecular formula of BAS 00732904?
The molecular formula of BAS 00732904 is C17H19ClN4O3S.
What is the molecular weight of BAS 00732904?
The molecular weight of BAS 00732904 is 394.09 g/mol.
Where can I buy BAS 00732904?
You can request a quote for BAS 00732904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00732904?
Yes, KEHONG BIO provides custom synthesis services for BAS 00732904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.