BAS 00620060
TL;DR: BAS 00620060 (CAS 313470-33-6) 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]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione
Also Known As: BAS 00620060, 7-(2-chlorobenzyl)-8-(isopentylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-chlorobenzyl)-8-(isopentylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chlorophenyl)methyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione, F0381-2991
| Molecular Formula | C18H21ClN4O2S |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 3.2632 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.10736 |
| Heavy Atoms | 26 |
| Complexity | 1051.5062 |
Chemical Identifiers
| CAS Number | 313470-33-6 |
|---|---|
| SMILES | CC(C)CCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C |
Product Overview
BAS 00620060 (CAS 313470-33-6), with molecular formula C18H21ClN4O2S and molecular weight 392.11 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 00620060
Property Insights of BAS 00620060
The XLogP value of 3.2632 indicates that BAS 00620060 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00620060. Following Lipinski's Rule of Five, BAS 00620060 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 00620060?
The CAS number of BAS 00620060 is 313470-33-6.
What is the molecular formula of BAS 00620060?
The molecular formula of BAS 00620060 is C18H21ClN4O2S.
What is the molecular weight of BAS 00620060?
The molecular weight of BAS 00620060 is 392.11 g/mol.
Where can I buy BAS 00620060?
You can request a quote for BAS 00620060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620060?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.