BAS 05914471
TL;DR: BAS 05914471 (CAS 476479-92-2) 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.
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione
Also Known As: BAS 05914471, 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-methylprop-2-en-1-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-methyl-2-propenyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-(4-Chlorobenzyl)-1,3-dimethyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione
| Molecular Formula | C18H19ClN4O2S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 2.8036 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.09174 |
| Heavy Atoms | 26 |
| Complexity | 1109.3971 |
Chemical Identifiers
| CAS Number | 476479-92-2 |
|---|---|
| SMILES | CC(=C)CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
BAS 05914471 (CAS 476479-92-2), with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 05914471
Property Insights of BAS 05914471
The XLogP value of 2.8036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05914471. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05914471. Following Lipinski's Rule of Five, BAS 05914471 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 05914471?
The CAS number of BAS 05914471 is 476479-92-2.
What is the molecular formula of BAS 05914471?
The molecular formula of BAS 05914471 is C18H19ClN4O2S.
What is the molecular weight of BAS 05914471?
The molecular weight of BAS 05914471 is 390.09 g/mol.
Where can I buy BAS 05914471?
You can request a quote for BAS 05914471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05914471?
Yes, KEHONG BIO provides custom synthesis services for BAS 05914471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.