BAS 05914469
TL;DR: BAS 05914469 (CAS 478252-50-5) 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.
8-[(E)-but-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 05914469, AB01308612-01, 8-[(2E)-but-2-en-1-ylsulfanyl]-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, (E)-8-(but-2-en-1-ylthio)-7-(4-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(E)-but-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-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 | 1093.5522 |
Chemical Identifiers
| CAS Number | 478252-50-5 |
|---|---|
| SMILES | C/C=C/CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
BAS 05914469 (CAS 478252-50-5), with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol. IUPAC: 8-[(E)-but-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 05914469
Property Insights of BAS 05914469
The XLogP value of 2.8036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05914469. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05914469. Following Lipinski's Rule of Five, BAS 05914469 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 05914469?
The CAS number of BAS 05914469 is 478252-50-5.
What is the molecular formula of BAS 05914469?
The molecular formula of BAS 05914469 is C18H19ClN4O2S.
What is the molecular weight of BAS 05914469?
The molecular weight of BAS 05914469 is 390.09 g/mol.
Where can I buy BAS 05914469?
You can request a quote for BAS 05914469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05914469?
Yes, KEHONG BIO provides custom synthesis services for BAS 05914469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.