7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
TL;DR: 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 282729-79-7) is a chemical compound with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 7-chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one, 7-chloro-2-mercapto-3-(3-methoxypropyl)quinazolin-4(3H)-one, 7-chloro-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one, F0916-6018, 7-chloro-3-(3-methoxypropyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C12H13ClN2O2S |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 2.74899 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.03864 |
| Heavy Atoms | 18 |
| Complexity | 677.81226 |
Chemical Identifiers
| CAS Number | 282729-79-7 |
|---|---|
| SMILES | COCCCN1C(=O)C2=C(C=C(C=C2)Cl)NC1=S |
Product Overview
7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 282729-79-7), with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol. IUPAC: 7-chloro-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
Property Insights of 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
The XLogP value of 2.74899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one. With a topological polar surface area (TPSA) of 47.02 Ų, 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-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-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The CAS number of 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is 282729-79-7.
What is the molecular formula of 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular formula of 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is C12H13ClN2O2S.
What is the molecular weight of 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
The molecular weight of 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one is 284.04 g/mol.
Where can I buy 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
You can request a quote for 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-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-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-(3-methoxypropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.