BAS 01107485
TL;DR: BAS 01107485 (CAS 303970-34-5) is a chemical compound with molecular formula C22H19ClN4O3S and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 01107485, 8-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, AB00131574-02, F0373-1261, 8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
| Molecular Formula | C22H19ClN4O3S |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 3.40842 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.08664 |
| Heavy Atoms | 31 |
| Complexity | 1386.0364 |
Chemical Identifiers
| CAS Number | 303970-34-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Cl)N(C(=O)NC3=O)C |
Product Overview
BAS 01107485 (CAS 303970-34-5), with molecular formula C22H19ClN4O3S and molecular weight 454.09 g/mol. IUPAC: 8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 01107485
Property Insights of BAS 01107485
The XLogP value of 3.40842 indicates that BAS 01107485 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01107485. Following Lipinski's Rule of Five, BAS 01107485 has 1 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 01107485?
The CAS number of BAS 01107485 is 303970-34-5.
What is the molecular formula of BAS 01107485?
The molecular formula of BAS 01107485 is C22H19ClN4O3S.
What is the molecular weight of BAS 01107485?
The molecular weight of BAS 01107485 is 454.09 g/mol.
Where can I buy BAS 01107485?
You can request a quote for BAS 01107485 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107485?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107485 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.