BAS 00690638
TL;DR: BAS 00690638 (CAS 330179-70-9) is a chemical compound with molecular formula C26H32N2OS and molecular weight 420.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00690638, 2-(allylthio)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-cyclohexyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-cyclohexyl-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-CYCLOHEXYL-2-(PROP-2-EN-1-YLSULFANYL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-4-ONE
| Molecular Formula | C26H32N2OS |
|---|---|
| Molecular Weight | 420.22 g/mol |
| LogP | 6.4516 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.22354 |
| Heavy Atoms | 30 |
| Complexity | 996.57855 |
Chemical Identifiers
| CAS Number | 330179-70-9 |
|---|---|
| SMILES | C=CCSC1=NC2=C(C(=O)N1C3CCCCC3)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00690638 (CAS 330179-70-9), with molecular formula C26H32N2OS and molecular weight 420.22 g/mol. IUPAC: 3-cyclohexyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00690638
Property Insights of BAS 00690638
The XLogP value of 6.4516 indicates that BAS 00690638 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 00690638 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690638 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 00690638?
The CAS number of BAS 00690638 is 330179-70-9.
What is the molecular formula of BAS 00690638?
The molecular formula of BAS 00690638 is C26H32N2OS.
What is the molecular weight of BAS 00690638?
The molecular weight of BAS 00690638 is 420.22 g/mol.
Where can I buy BAS 00690638?
You can request a quote for BAS 00690638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690638?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.