BAS 00608730
TL;DR: BAS 00608730 (CAS 172984-40-6) is a chemical compound with molecular formula C25H26N2OS and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00608730, Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 2-(ethylthio)-3-phenyl-, 2-(Ethylthio)-3-phenylspiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 2-(ethylsulfanyl)-3-phenyl-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one, 2-(Ethylthio)-3-phenyl-4-oxo-1,2,3,4,5,6-hexahydrospiro(benzo(h)quinazoline-5,1'-cyclohexane)
| Molecular Formula | C25H26N2OS |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 5.7695 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.17657 |
| Heavy Atoms | 29 |
| Complexity | 1097.5514 |
Chemical Identifiers
| CAS Number | 172984-40-6 |
|---|---|
| SMILES | CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00608730 (CAS 172984-40-6), with molecular formula C25H26N2OS and molecular weight 402.18 g/mol. IUPAC: 2-ethylsulfanyl-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00608730
Property Insights of BAS 00608730
The XLogP value of 5.7695 indicates that BAS 00608730 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 00608730 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00608730 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 00608730?
The CAS number of BAS 00608730 is 172984-40-6.
What is the molecular formula of BAS 00608730?
The molecular formula of BAS 00608730 is C25H26N2OS.
What is the molecular weight of BAS 00608730?
The molecular weight of BAS 00608730 is 402.18 g/mol.
Where can I buy BAS 00608730?
You can request a quote for BAS 00608730 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00608730?
Yes, KEHONG BIO provides custom synthesis services for BAS 00608730 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.