BAS 13475591
TL;DR: BAS 13475591 (CAS 878433-69-3) is a chemical compound with molecular formula C15H14ClN3O2S and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
Also Known As: BAS 13475591, 5-(3-chlorophenyl)-1-methyl-2-(methylthio)-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione, 5-(3-chlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione, 5-(3-chlorophenyl)-7-hydroxy-1-methyl-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C15H14ClN3O2S |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 2.6297 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.04953 |
| Heavy Atoms | 22 |
| Complexity | 818.9202 |
Chemical Identifiers
| CAS Number | 878433-69-3 |
|---|---|
| SMILES | CN1C2=C(C(CC(=O)N2)C3=CC(=CC=C3)Cl)C(=O)N=C1SC |
Product Overview
BAS 13475591 (CAS 878433-69-3), with molecular formula C15H14ClN3O2S and molecular weight 335.05 g/mol. IUPAC: 5-(3-chlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.
Chemical Property Profile of BAS 13475591
Property Insights of BAS 13475591
The XLogP value of 2.6297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13475591. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13475591. Following Lipinski's Rule of Five, BAS 13475591 has 1 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 13475591?
The CAS number of BAS 13475591 is 878433-69-3.
What is the molecular formula of BAS 13475591?
The molecular formula of BAS 13475591 is C15H14ClN3O2S.
What is the molecular weight of BAS 13475591?
The molecular weight of BAS 13475591 is 335.05 g/mol.
Where can I buy BAS 13475591?
You can request a quote for BAS 13475591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13475591?
Yes, KEHONG BIO provides custom synthesis services for BAS 13475591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.