BAS 01547159
TL;DR: BAS 01547159 (CAS 333435-96-4) is a chemical compound with molecular formula C18H21ClN4O2S and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione
Also Known As: BAS 01547159, AB01289129-01, 7-(2-chlorobenzyl)-8-(isobutylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpropyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H21ClN4O2S |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 2.8835 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.10736 |
| Heavy Atoms | 26 |
| Complexity | 1081.2102 |
Chemical Identifiers
| CAS Number | 333435-96-4 |
|---|---|
| SMILES | CC(C)CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C |
Product Overview
BAS 01547159 (CAS 333435-96-4), with molecular formula C18H21ClN4O2S and molecular weight 392.11 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 01547159
Property Insights of BAS 01547159
The XLogP value of 2.8835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01547159. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01547159. Following Lipinski's Rule of Five, BAS 01547159 has 0 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 01547159?
The CAS number of BAS 01547159 is 333435-96-4.
What is the molecular formula of BAS 01547159?
The molecular formula of BAS 01547159 is C18H21ClN4O2S.
What is the molecular weight of BAS 01547159?
The molecular weight of BAS 01547159 is 392.11 g/mol.
Where can I buy BAS 01547159?
You can request a quote for BAS 01547159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01547159?
Yes, KEHONG BIO provides custom synthesis services for BAS 01547159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.