BAS 00732880
TL;DR: BAS 00732880 (CAS 332149-59-4) is a chemical compound with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: BAS 00732880, 8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-(2-phenylethyl)purine-2,6-dione, 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-phenethylpurine-2,6-dione, 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H19ClN4O2S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 2.9007 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.09174 |
| Heavy Atoms | 26 |
| Complexity | 1062.47 |
Chemical Identifiers
| CAS Number | 332149-59-4 |
|---|---|
| SMILES | C/C(=C/CSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C)/Cl |
Product Overview
BAS 00732880 (CAS 332149-59-4), with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol. IUPAC: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of BAS 00732880
Property Insights of BAS 00732880
The XLogP value of 2.9007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00732880. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00732880. Following Lipinski's Rule of Five, BAS 00732880 has 1 hydrogen bond donor(s) and 4 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 00732880?
The CAS number of BAS 00732880 is 332149-59-4.
What is the molecular formula of BAS 00732880?
The molecular formula of BAS 00732880 is C18H19ClN4O2S.
What is the molecular weight of BAS 00732880?
The molecular weight of BAS 00732880 is 390.09 g/mol.
Where can I buy BAS 00732880?
You can request a quote for BAS 00732880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00732880?
Yes, KEHONG BIO provides custom synthesis services for BAS 00732880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.