C32H31ClN2OS
TL;DR: C32H31ClN2OS (CAS 577786-98-2) is a chemical compound with molecular formula C32H31ClN2OS and molecular weight 526.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 2-((2-chlorobenzyl)thio)-3-phenethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-[(2-chlorobenzyl)sulfanyl]-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-[(2-chlorophenyl)methylsulfanyl]-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
| Molecular Formula | C32H31ClN2OS |
|---|---|
| Molecular Weight | 526.18 g/mol |
| LogP | 7.8567 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.1846 |
| Heavy Atoms | 37 |
| Complexity | 1474.1158 |
Chemical Identifiers
| CAS Number | 577786-98-2 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=CC=C5Cl)CCC6=CC=CC=C6 |
Product Overview
C32H31ClN2OS (CAS 577786-98-2), with molecular formula C32H31ClN2OS and molecular weight 526.18 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of C32H31ClN2OS
Property Insights of C32H31ClN2OS
The XLogP value of 7.8567 indicates that C32H31ClN2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, C32H31ClN2OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C32H31ClN2OS 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 C32H31ClN2OS?
The CAS number of C32H31ClN2OS is 577786-98-2.
What is the molecular formula of C32H31ClN2OS?
The molecular formula of C32H31ClN2OS is C32H31ClN2OS.
What is the molecular weight of C32H31ClN2OS?
The molecular weight of C32H31ClN2OS is 526.18 g/mol.
Where can I buy C32H31ClN2OS?
You can request a quote for C32H31ClN2OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C32H31ClN2OS?
Yes, KEHONG BIO provides custom synthesis services for C32H31ClN2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.