BAS 00335924
TL;DR: BAS 00335924 (CAS 172984-41-7) is a chemical compound with molecular formula C26H26N2OS and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00335924, Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-phenyl-2-(2-propenylthio)-, 2-(allylsulfanyl)-3-phenyl-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one, 2-(Allylthio)-3-phenyl-4-oxo-1,2,3,4,5,6-hexahydrospiro(benzo(h)quinazoline-5,1'-cyclohexane), 3-Phenyl-2-(2-propenylthio)spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one
| Molecular Formula | C26H26N2OS |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 5.9356 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.17657 |
| Heavy Atoms | 30 |
| Complexity | 1143.4403 |
Chemical Identifiers
| CAS Number | 172984-41-7 |
|---|---|
| SMILES | C=CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00335924 (CAS 172984-41-7), with molecular formula C26H26N2OS and molecular weight 414.18 g/mol. IUPAC: 3-phenyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00335924
Property Insights of BAS 00335924
The XLogP value of 5.9356 indicates that BAS 00335924 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 00335924 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00335924 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 00335924?
The CAS number of BAS 00335924 is 172984-41-7.
What is the molecular formula of BAS 00335924?
The molecular formula of BAS 00335924 is C26H26N2OS.
What is the molecular weight of BAS 00335924?
The molecular weight of BAS 00335924 is 414.18 g/mol.
Where can I buy BAS 00335924?
You can request a quote for BAS 00335924 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00335924?
Yes, KEHONG BIO provides custom synthesis services for BAS 00335924 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.