![3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one structure](/static/products/4436/443671-62-3.webp)
3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
TL;DR: 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one (CAS 443671-62-3) is a chemical compound with molecular formula C14H11N3OS and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
Also Known As: 3-benzyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one, 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one, F0921-6604, 3-benzyl-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one, 9-benzyl-8-sulfanylidene-5,7,9-triazabicyclo[4.4.0]deca-2,4,11-trien-10-one
| Molecular Formula | C14H11N3OS |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 2.50239 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0623 |
| Heavy Atoms | 19 |
| Complexity | 836.42914 |
Chemical Identifiers
| CAS Number | 443671-62-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=C(NC2=S)N=CC=C3 |
Product Overview
3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one (CAS 443671-62-3), with molecular formula C14H11N3OS and molecular weight 269.06 g/mol. IUPAC: 3-benzyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Property Insights of 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 2.50239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one. With a topological polar surface area (TPSA) of 50.68 Ų, 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one has 1 hydrogen bond donor(s) and 3 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 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one is 443671-62-3.
What is the molecular formula of 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one is C14H11N3OS.
What is the molecular weight of 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one is 269.06 g/mol.
Where can I buy 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.