![2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile structure](/static/products/3319/331971-99-4.webp)
2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
TL;DR: 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile (CAS 331971-99-4) is a chemical compound with molecular formula C17H19N3OS and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
Also Known As: BAS 00718652, AB00094875-01, AJ-292/11720052, 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile, {[3-(cyclohexylmethyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetonitrile
| Molecular Formula | C17H19N3OS |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 3.59248 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.12488 |
| Heavy Atoms | 22 |
| Complexity | 756.5686 |
Chemical Identifiers
| CAS Number | 331971-99-4 |
|---|---|
| SMILES | C1CCC(CC1)CN2C(=O)C3=CC=CC=C3N=C2SCC#N |
Product Overview
2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile (CAS 331971-99-4), with molecular formula C17H19N3OS and molecular weight 313.12 g/mol. IUPAC: 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile.
Chemical Property Profile of 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
Property Insights of 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
The XLogP value of 3.59248 indicates that 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile has 0 hydrogen bond donor(s) and 4 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 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile?
The CAS number of 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile is 331971-99-4.
What is the molecular formula of 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile?
The molecular formula of 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile is C17H19N3OS.
What is the molecular weight of 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile?
The molecular weight of 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile is 313.12 g/mol.
Where can I buy 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile?
You can request a quote for 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.