![3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one structure](/static/products/926/92663-26-8.png)
3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one (CAS 92663-26-8) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
Also Known As: 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one, 3-(prop-2-en-1-yl)-2-sulfanylidene-2H,3H,4H,8H-pyrido[2,3-d]pyrimidin-4-one, 3-prop-2-enyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one, F0918-6779, 3-(prop-2-en-1-yl)-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.64009 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 626.3355 |
Chemical Identifiers
| CAS Number | 92663-26-8 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(NC1=S)N=CC=C2 |
Product Overview
3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one (CAS 92663-26-8), with molecular formula C10H9N3OS and molecular weight 219.05 g/mol. IUPAC: 3-prop-2-enyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 1.64009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 50.68 Ų, 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-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-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one is 92663-26-8.
What is the molecular formula of 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one is C10H9N3OS.
What is the molecular weight of 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one is 219.05 g/mol.
Where can I buy 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-mercaptopyrido[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.