BAS 13475594
TL;DR: BAS 13475594 (CAS 878433-79-5) is a chemical compound with molecular formula C15H14FN3O2S and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-fluorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
Also Known As: BAS 13475594, 5-(3-fluorophenyl)-1-methyl-2-(methylthio)-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione, 5-(3-fluorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione, 5-(3-fluorophenyl)-7-hydroxy-1-methyl-2-(methylsulfanyl)-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C15H14FN3O2S |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 2.1154 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.07907 |
| Heavy Atoms | 22 |
| Complexity | 818.9202 |
Chemical Identifiers
| CAS Number | 878433-79-5 |
|---|---|
| SMILES | CN1C2=C(C(CC(=O)N2)C3=CC(=CC=C3)F)C(=O)N=C1SC |
Product Overview
BAS 13475594 (CAS 878433-79-5), with molecular formula C15H14FN3O2S and molecular weight 319.08 g/mol. IUPAC: 5-(3-fluorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione.
Chemical Property Profile of BAS 13475594
Property Insights of BAS 13475594
The XLogP value of 2.1154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13475594. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13475594. Following Lipinski's Rule of Five, BAS 13475594 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 13475594?
The CAS number of BAS 13475594 is 878433-79-5.
What is the molecular formula of BAS 13475594?
The molecular formula of BAS 13475594 is C15H14FN3O2S.
What is the molecular weight of BAS 13475594?
The molecular weight of BAS 13475594 is 319.08 g/mol.
Where can I buy BAS 13475594?
You can request a quote for BAS 13475594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13475594?
Yes, KEHONG BIO provides custom synthesis services for BAS 13475594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.