AB00094070-01
TL;DR: AB00094070-01 (CAS 354547-50-5) is a chemical compound with molecular formula C24H27N3OS and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-cyclopentyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile
Also Known As: AB00094070-01, 2-(3-cyclopentyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile, 2-[(3-cyclopentyl-4-oxo-3,4,5,6-tetrahydrospiro[benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl]acetonitrile, [(3-cyclopentyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile, 2-((3-cyclopentyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetonitrile
| Molecular Formula | C24H27N3OS |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 5.39908 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.18747 |
| Heavy Atoms | 29 |
| Complexity | 1023.3969 |
Chemical Identifiers
| CAS Number | 354547-50-5 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)C5CCCC5 |
Product Overview
AB00094070-01 (CAS 354547-50-5), with molecular formula C24H27N3OS and molecular weight 405.19 g/mol. IUPAC: 2-(3-cyclopentyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile.
Chemical Property Profile of AB00094070-01
Property Insights of AB00094070-01
The XLogP value of 5.39908 indicates that AB00094070-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, AB00094070-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00094070-01 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00094070-01?
The CAS number of AB00094070-01 is 354547-50-5.
What is the molecular formula of AB00094070-01?
The molecular formula of AB00094070-01 is C24H27N3OS.
What is the molecular weight of AB00094070-01?
The molecular weight of AB00094070-01 is 405.19 g/mol.
Where can I buy AB00094070-01?
You can request a quote for AB00094070-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00094070-01?
Yes, KEHONG BIO provides custom synthesis services for AB00094070-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.