3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one
TL;DR: 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one (CAS 690684-79-8) is a chemical compound with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one, 3-[3-(propan-2-yloxy)propyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one, 3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(3-isopropoxypropyl)-2-thioxo-1H-quinazolin-4-one, 3-(3-isopropoxypropyl)-2-sulfanyl-4(3H)-quinazolinone
| Molecular Formula | C14H18N2O2S |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 2.87419 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.1089 |
| Heavy Atoms | 19 |
| Complexity | 672.93567 |
Chemical Identifiers
| CAS Number | 690684-79-8 |
|---|---|
| SMILES | CC(C)OCCCN1C(=O)C2=CC=CC=C2NC1=S |
Product Overview
3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one (CAS 690684-79-8), with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol. IUPAC: 3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one
Property Insights of 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one
The XLogP value of 2.87419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one. With a topological polar surface area (TPSA) of 47.02 Ų, 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-isopropoxypropyl)-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 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one?
The CAS number of 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one is 690684-79-8.
What is the molecular formula of 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular formula of 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one is C14H18N2O2S.
What is the molecular weight of 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular weight of 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one is 278.11 g/mol.
Where can I buy 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one?
You can request a quote for 3-(3-isopropoxypropyl)-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 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-isopropoxypropyl)-2-mercaptoquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.