BAS 00964129
TL;DR: BAS 00964129 (CAS 303968-99-2) is a chemical compound with molecular formula C18H19ClN4O3S and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00964129, 7-butyl-8-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00667701-01, AB00667701-02, F0373-1207
| Molecular Formula | C18H19ClN4O3S |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 2.8518 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.08664 |
| Heavy Atoms | 27 |
| Complexity | 1098.7228 |
Chemical Identifiers
| CAS Number | 303968-99-2 |
|---|---|
| SMILES | CCCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C |
Product Overview
BAS 00964129 (CAS 303968-99-2), with molecular formula C18H19ClN4O3S and molecular weight 406.09 g/mol. IUPAC: 7-butyl-8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00964129
Property Insights of BAS 00964129
The XLogP value of 2.8518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964129. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964129. Following Lipinski's Rule of Five, BAS 00964129 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 00964129?
The CAS number of BAS 00964129 is 303968-99-2.
What is the molecular formula of BAS 00964129?
The molecular formula of BAS 00964129 is C18H19ClN4O3S.
What is the molecular weight of BAS 00964129?
The molecular weight of BAS 00964129 is 406.09 g/mol.
Where can I buy BAS 00964129?
You can request a quote for BAS 00964129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964129?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.