BAS 00690731
TL;DR: BAS 00690731 (CAS 316357-85-4) is a chemical compound with molecular formula C25H22N2OS and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00690731, 3-phenyl-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, AL-281/11337029, 3-phenyl-2-(2-propynylsulfanyl)-5,6-dihydrospiro[benzo[h]quinazoline-5,1'-cyclopentane]-4(3H)-one, 3-phenyl-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C25H22N2OS |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 4.9927 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.1453 |
| Heavy Atoms | 29 |
| Complexity | 1167.6631 |
Chemical Identifiers
| CAS Number | 316357-85-4 |
|---|---|
| SMILES | C#CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00690731 (CAS 316357-85-4), with molecular formula C25H22N2OS and molecular weight 398.15 g/mol. IUPAC: 3-phenyl-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00690731
Property Insights of BAS 00690731
The XLogP value of 4.9927 indicates that BAS 00690731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, BAS 00690731 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690731 has 0 hydrogen bond donor(s) and 3 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 00690731?
The CAS number of BAS 00690731 is 316357-85-4.
What is the molecular formula of BAS 00690731?
The molecular formula of BAS 00690731 is C25H22N2OS.
What is the molecular weight of BAS 00690731?
The molecular weight of BAS 00690731 is 398.15 g/mol.
Where can I buy BAS 00690731?
You can request a quote for BAS 00690731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690731?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.