AB00094065-01
TL;DR: AB00094065-01 (CAS 316360-54-0) is a chemical compound with molecular formula C21H21N3OS and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile
Also Known As: AB00094065-01, 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile, {[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile, 2-((3-allyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetonitrile
| Molecular Formula | C21H21N3OS |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 4.07988 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.14053 |
| Heavy Atoms | 26 |
| Complexity | 964.1971 |
Chemical Identifiers
| CAS Number | 316360-54-0 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC#N |
Product Overview
AB00094065-01 (CAS 316360-54-0), with molecular formula C21H21N3OS and molecular weight 363.14 g/mol. IUPAC: 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile.
Chemical Property Profile of AB00094065-01
Property Insights of AB00094065-01
The XLogP value of 4.07988 indicates that AB00094065-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, AB00094065-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00094065-01 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 AB00094065-01?
The CAS number of AB00094065-01 is 316360-54-0.
What is the molecular formula of AB00094065-01?
The molecular formula of AB00094065-01 is C21H21N3OS.
What is the molecular weight of AB00094065-01?
The molecular weight of AB00094065-01 is 363.14 g/mol.
Where can I buy AB00094065-01?
You can request a quote for AB00094065-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00094065-01?
Yes, KEHONG BIO provides custom synthesis services for AB00094065-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.