BAS 00690701
TL;DR: BAS 00690701 (CAS 330454-30-3) is a chemical compound with molecular formula C25H23N3OS and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile
Also Known As: BAS 00690701, 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile, AL-281/11337008, [(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetonitrile, 3-benzyl-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)
| Molecular Formula | C25H23N3OS |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 4.94218 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1562 |
| Heavy Atoms | 30 |
| Complexity | 1187.251 |
Chemical Identifiers
| CAS Number | 330454-30-3 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)CC5=CC=CC=C5 |
Product Overview
BAS 00690701 (CAS 330454-30-3), with molecular formula C25H23N3OS and molecular weight 413.16 g/mol. IUPAC: 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile.
Chemical Property Profile of BAS 00690701
Property Insights of BAS 00690701
The XLogP value of 4.94218 indicates that BAS 00690701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, BAS 00690701 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690701 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 BAS 00690701?
The CAS number of BAS 00690701 is 330454-30-3.
What is the molecular formula of BAS 00690701?
The molecular formula of BAS 00690701 is C25H23N3OS.
What is the molecular weight of BAS 00690701?
The molecular weight of BAS 00690701 is 413.16 g/mol.
Where can I buy BAS 00690701?
You can request a quote for BAS 00690701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690701?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.