BAS 05914473
TL;DR: BAS 05914473 (CAS 476479-93-3) is a chemical compound with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-(2-methoxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 05914473, 7-(4-chlorobenzyl)-8-[(2-methoxyethyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(4-Chlorobenzyl)-8-((2-methoxyethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(4-chlorophenyl)methyl]-8-(2-methoxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione, 7-[(4-chlorophenyl)methyl]-8-(2-methoxyethylthio)-1,3-dimethyl-1,3,7-trihydrop urine-2,6-dione
| Molecular Formula | C17H19ClN4O3S |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 1.8739 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.08664 |
| Heavy Atoms | 26 |
| Complexity | 1053.0309 |
Chemical Identifiers
| CAS Number | 476479-93-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCOC)CC3=CC=C(C=C3)Cl |
Product Overview
BAS 05914473 (CAS 476479-93-3), with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-(2-methoxyethylsulfanyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 05914473
Property Insights of BAS 05914473
The XLogP value of 1.8739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05914473. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05914473. Following Lipinski's Rule of Five, BAS 05914473 has 0 hydrogen bond donor(s) and 5 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 05914473?
The CAS number of BAS 05914473 is 476479-93-3.
What is the molecular formula of BAS 05914473?
The molecular formula of BAS 05914473 is C17H19ClN4O3S.
What is the molecular weight of BAS 05914473?
The molecular weight of BAS 05914473 is 394.09 g/mol.
Where can I buy BAS 05914473?
You can request a quote for BAS 05914473 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05914473?
Yes, KEHONG BIO provides custom synthesis services for BAS 05914473 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.