BAS 00690739
TL;DR: BAS 00690739 (CAS 331961-91-2) is a chemical compound with molecular formula C27H26N2O2S and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00690739, 3-(4-methoxyphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, AL-281/36997040, 3-(4-methoxyphenyl)-2-(2-propynylsulfanyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one, 3-(4-methoxyphenyl)-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C27H26N2O2S |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 5.3914 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.1715 |
| Heavy Atoms | 32 |
| Complexity | 1248.1284 |
Chemical Identifiers
| CAS Number | 331961-91-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#C |
Product Overview
BAS 00690739 (CAS 331961-91-2), with molecular formula C27H26N2O2S and molecular weight 442.17 g/mol. IUPAC: 3-(4-methoxyphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00690739
Property Insights of BAS 00690739
The XLogP value of 5.3914 indicates that BAS 00690739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, BAS 00690739 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690739 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 BAS 00690739?
The CAS number of BAS 00690739 is 331961-91-2.
What is the molecular formula of BAS 00690739?
The molecular formula of BAS 00690739 is C27H26N2O2S.
What is the molecular weight of BAS 00690739?
The molecular weight of BAS 00690739 is 442.17 g/mol.
Where can I buy BAS 00690739?
You can request a quote for BAS 00690739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690739?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.