BAS 00690673
TL;DR: BAS 00690673 (CAS 328069-16-5) is a chemical compound with molecular formula C27H34N2OS and molecular weight 434.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclohexylmethyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00690673, 3-(cyclohexylmethyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 2-(allylsulfanyl)-3-(cyclohexylmethyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one, 2-(allylthio)-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-(cyclohexylmethyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C27H34N2OS |
|---|---|
| Molecular Weight | 434.24 g/mol |
| LogP | 6.5267 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.2392 |
| Heavy Atoms | 31 |
| Complexity | 1012.3819 |
Chemical Identifiers
| CAS Number | 328069-16-5 |
|---|---|
| SMILES | C=CCSC1=NC2=C(C(=O)N1CC3CCCCC3)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00690673 (CAS 328069-16-5), with molecular formula C27H34N2OS and molecular weight 434.24 g/mol. IUPAC: 3-(cyclohexylmethyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00690673
Property Insights of BAS 00690673
The XLogP value of 6.5267 indicates that BAS 00690673 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 00690673 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690673 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 00690673?
The CAS number of BAS 00690673 is 328069-16-5.
What is the molecular formula of BAS 00690673?
The molecular formula of BAS 00690673 is C27H34N2OS.
What is the molecular weight of BAS 00690673?
The molecular weight of BAS 00690673 is 434.24 g/mol.
Where can I buy BAS 00690673?
You can request a quote for BAS 00690673 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690673?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690673 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.