BAS 00690738
TL;DR: BAS 00690738 (CAS 289711-79-1) is a chemical compound with molecular formula C27H26N2OS and molecular weight 426.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00690738, 3-(4-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 2-(prop-2-yn-1-ylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-(4-methylphenyl)-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-(4-METHYLPHENYL)-2-(PROP-2-YN-1-YLSULFANYL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-4-ONE
| Molecular Formula | C27H26N2OS |
|---|---|
| Molecular Weight | 426.18 g/mol |
| LogP | 5.69122 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.17657 |
| Heavy Atoms | 31 |
| Complexity | 1227.5718 |
Chemical Identifiers
| CAS Number | 289711-79-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#C |
Product Overview
BAS 00690738 (CAS 289711-79-1), with molecular formula C27H26N2OS and molecular weight 426.18 g/mol. IUPAC: 3-(4-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00690738
Property Insights of BAS 00690738
The XLogP value of 5.69122 indicates that BAS 00690738 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 00690738 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690738 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00690738?
The CAS number of BAS 00690738 is 289711-79-1.
What is the molecular formula of BAS 00690738?
The molecular formula of BAS 00690738 is C27H26N2OS.
What is the molecular weight of BAS 00690738?
The molecular weight of BAS 00690738 is 426.18 g/mol.
Where can I buy BAS 00690738?
You can request a quote for BAS 00690738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690738?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.