BAS 00491872
TL;DR: BAS 00491872 (CAS 331726-15-9) is a chemical compound with molecular formula C13H17ClN4O3S and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00491872, 7-(3-chloro-2-butenyl)-8-[(2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione, 7-(3-CL-BUT-2-ENYL)-8-(2-HO-PROPYLSULFANYL)-3-ME-3,7-DIHYDRO-PURINE-2,6-DIONE, (Z)-7-(3-chlorobut-2-en-1-yl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C13H17ClN4O3S |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 1.0388 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.07098 |
| Heavy Atoms | 22 |
| Complexity | 830.1484 |
Chemical Identifiers
| CAS Number | 331726-15-9 |
|---|---|
| SMILES | CC(CSC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C)O |
Product Overview
BAS 00491872 (CAS 331726-15-9), with molecular formula C13H17ClN4O3S and molecular weight 344.07 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00491872
Property Insights of BAS 00491872
The XLogP value of 1.0388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00491872. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491872. Following Lipinski's Rule of Five, BAS 00491872 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 00491872?
The CAS number of BAS 00491872 is 331726-15-9.
What is the molecular formula of BAS 00491872?
The molecular formula of BAS 00491872 is C13H17ClN4O3S.
What is the molecular weight of BAS 00491872?
The molecular weight of BAS 00491872 is 344.07 g/mol.
Where can I buy BAS 00491872?
You can request a quote for BAS 00491872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491872?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.