BAS 00620056
TL;DR: BAS 00620056 (CAS 330181-09-4) is a chemical compound with molecular formula C17H19ClN4O2S and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butylsulfanyl-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00620056, 8-(butylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(butylsulfanyl)-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-(butylthio)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-Butylsulfanyl-7-(2-chloro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C17H19ClN4O2S |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 3.0172 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.09174 |
| Heavy Atoms | 25 |
| Complexity | 1021.64026 |
Chemical Identifiers
| CAS Number | 330181-09-4 |
|---|---|
| SMILES | CCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C |
Product Overview
BAS 00620056 (CAS 330181-09-4), with molecular formula C17H19ClN4O2S and molecular weight 378.09 g/mol. IUPAC: 8-butylsulfanyl-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00620056
Property Insights of BAS 00620056
The XLogP value of 3.0172 indicates that BAS 00620056 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 00620056. Following Lipinski's Rule of Five, BAS 00620056 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 00620056?
The CAS number of BAS 00620056 is 330181-09-4.
What is the molecular formula of BAS 00620056?
The molecular formula of BAS 00620056 is C17H19ClN4O2S.
What is the molecular weight of BAS 00620056?
The molecular weight of BAS 00620056 is 378.09 g/mol.
Where can I buy BAS 00620056?
You can request a quote for BAS 00620056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620056?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.