3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one
TL;DR: 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one (CAS 331971-80-3) is a chemical compound with molecular formula C14H16N2OS and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclopentylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: CHEMBRDG-BB 5727906, CHEMBRDG-BB5727906, 3-(CYCLOPENTYLMETHYL)-2-MERCAPTOQUINAZOLIN-4(3H)-ONE, 3-Cyclopentylmethyl-2-mercapto-3H-quinazolin-4-one, BAS 00718586
| Molecular Formula | C14H16N2OS |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 3.24929 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.09833 |
| Heavy Atoms | 18 |
| Complexity | 679.98883 |
Chemical Identifiers
| CAS Number | 331971-80-3 |
|---|---|
| SMILES | C1CCC(C1)CN2C(=O)C3=CC=CC=C3NC2=S |
Product Overview
3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one (CAS 331971-80-3), with molecular formula C14H16N2OS and molecular weight 260.10 g/mol. IUPAC: 3-(cyclopentylmethyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one
Property Insights of 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one
The XLogP value of 3.24929 indicates that 3-(Cyclopentylmethyl)-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 37.79 Ų, 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one has 1 hydrogen bond donor(s) and 2 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-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one?
The CAS number of 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one is 331971-80-3.
What is the molecular formula of 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular formula of 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one is C14H16N2OS.
What is the molecular weight of 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one?
The molecular weight of 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one is 260.10 g/mol.
Where can I buy 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one?
You can request a quote for 3-(Cyclopentylmethyl)-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-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Cyclopentylmethyl)-2-mercaptoquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.