C28H32N2OS
TL;DR: C28H32N2OS (CAS 499209-99-3) is a chemical compound with molecular formula C28H32N2OS and molecular weight 444.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutylsulfanyl)-3-(3-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: 2-(isopentylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-(3-methylbutylsulfanyl)-3-(3-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-[(3-methylbutyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C28H32N2OS |
|---|---|
| Molecular Weight | 444.22 g/mol |
| LogP | 6.71402 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.22354 |
| Heavy Atoms | 32 |
| Complexity | 1204.2946 |
Chemical Identifiers
| CAS Number | 499209-99-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCCC(C)C |
Product Overview
C28H32N2OS (CAS 499209-99-3), with molecular formula C28H32N2OS and molecular weight 444.22 g/mol. IUPAC: 2-(3-methylbutylsulfanyl)-3-(3-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of C28H32N2OS
Property Insights of C28H32N2OS
The XLogP value of 6.71402 indicates that C28H32N2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, C28H32N2OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C28H32N2OS 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 C28H32N2OS?
The CAS number of C28H32N2OS is 499209-99-3.
What is the molecular formula of C28H32N2OS?
The molecular formula of C28H32N2OS is C28H32N2OS.
What is the molecular weight of C28H32N2OS?
The molecular weight of C28H32N2OS is 444.22 g/mol.
Where can I buy C28H32N2OS?
You can request a quote for C28H32N2OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H32N2OS?
Yes, KEHONG BIO provides custom synthesis services for C28H32N2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.