Acetic acid, 2-(4-quinazolinylthio)-, methyl ester
TL;DR: Acetic acid, 2-(4-quinazolinylthio)-, methyl ester (CAS 25629-18-9) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-quinazolin-4-ylsulfanylacetate
Also Known As: methyl 2-quinazolin-4-ylsulfanylacetate, Acetic acid, 2-(4-quinazolinylthio)-, methyl ester
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 1.8949 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 510.81564 |
Chemical Identifiers
| CAS Number | 25629-18-9 |
|---|---|
| SMILES | COC(=O)CSC1=NC=NC2=CC=CC=C21 |
Product Overview
Acetic acid, 2-(4-quinazolinylthio)-, methyl ester (CAS 25629-18-9), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: methyl 2-quinazolin-4-ylsulfanylacetate.
Chemical Property Profile of Acetic acid, 2-(4-quinazolinylthio)-, methyl ester
Property Insights of Acetic acid, 2-(4-quinazolinylthio)-, methyl ester
The XLogP value of 1.8949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-(4-quinazolinylthio)-, methyl ester. With a topological polar surface area (TPSA) of 52.08 Ų, Acetic acid, 2-(4-quinazolinylthio)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(4-quinazolinylthio)-, methyl ester has 0 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 Acetic acid, 2-(4-quinazolinylthio)-, methyl ester?
The CAS number of Acetic acid, 2-(4-quinazolinylthio)-, methyl ester is 25629-18-9.
What is the molecular formula of Acetic acid, 2-(4-quinazolinylthio)-, methyl ester?
The molecular formula of Acetic acid, 2-(4-quinazolinylthio)-, methyl ester is C11H10N2O2S.
What is the molecular weight of Acetic acid, 2-(4-quinazolinylthio)-, methyl ester?
The molecular weight of Acetic acid, 2-(4-quinazolinylthio)-, methyl ester is 234.05 g/mol.
Where can I buy Acetic acid, 2-(4-quinazolinylthio)-, methyl ester?
You can request a quote for Acetic acid, 2-(4-quinazolinylthio)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(4-quinazolinylthio)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(4-quinazolinylthio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.