BAS 04358775
TL;DR: BAS 04358775 (CAS 510717-39-2) 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.
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-propan-2-ylsulfanylpurine-2,6-dione
Also Known As: BAS 04358775, 7-(4-Chloro-benzyl)-8-isopropylsulfanyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, 7-(4-chlorobenzyl)-8-(isopropylthio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-(4-chlorobenzyl)-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H19ClN4O2S |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.09174 |
| Heavy Atoms | 25 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 510717-39-2 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C |
| InChIKey | XPGLYJHLTQRIPH-UHFFFAOYSA-N |
Product Overview
BAS 04358775 (CAS 510717-39-2), with molecular formula C17H19ClN4O2S and molecular weight 378.09 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-propan-2-ylsulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 04358775
Property Insights of BAS 04358775
The XLogP value of 3.4 indicates that BAS 04358775 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04358775. Following Lipinski's Rule of Five, BAS 04358775 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 04358775?
The CAS number of BAS 04358775 is 510717-39-2.
What is the molecular formula of BAS 04358775?
The molecular formula of BAS 04358775 is C17H19ClN4O2S.
What is the molecular weight of BAS 04358775?
The molecular weight of BAS 04358775 is 378.09 g/mol.
Where can I buy BAS 04358775?
You can request a quote for BAS 04358775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04358775?
Yes, KEHONG BIO provides custom synthesis services for BAS 04358775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.