7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one
TL;DR: 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one (CAS 796067-61-3) is a chemical compound with molecular formula C13H15ClN2O2S and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-(3-ethoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one, 7-chloro-3-(3-ethoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, 7-chloro-3-(3-ethoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one, 7-chloro-3-(3-ethoxypropyl)-4-hydroxyquinazoline-2-thione, 7-Chloro-3-(3-ethoxypropyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C13H15ClN2O2S |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 3.13909 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.0543 |
| Heavy Atoms | 19 |
| Complexity | 693.0832 |
Chemical Identifiers
| CAS Number | 796067-61-3 |
|---|---|
| SMILES | CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)NC1=S |
Product Overview
7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one (CAS 796067-61-3), with molecular formula C13H15ClN2O2S and molecular weight 298.05 g/mol. IUPAC: 7-chloro-3-(3-ethoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one
Property Insights of 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one
The XLogP value of 3.13909 indicates that 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-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 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one?
The CAS number of 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one is 796067-61-3.
What is the molecular formula of 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular formula of 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one is C13H15ClN2O2S.
What is the molecular weight of 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular weight of 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one is 298.05 g/mol.
Where can I buy 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one?
You can request a quote for 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-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 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-3-(3-ethoxypropyl)-2-mercaptoquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.