CID 95471
TL;DR: CID 95471 (CAS 2892-18-4) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-phenylhex-1-en-3-one
Also Known As: Isobutyl Styryl Ketone, IsobutylStyrylKetone, Benzylisobutyl ketone, Styryl isobutyl ketone, 5-Methyl-1-phenylhex-1-en-3-one
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 2892-18-4 |
|---|---|
| SMILES | CC(C)CC(=O)C=CC1=CC=CC=C1 |
| InChIKey | LLVCDRTZBYXKII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CID 95471 (CAS 2892-18-4), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 5-methyl-1-phenylhex-1-en-3-one.
Chemical Property Profile of CID 95471
Property Insights of CID 95471
The XLogP value of 3.3 indicates that CID 95471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, CID 95471 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 95471 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CID 95471?
The CAS number of CID 95471 is 2892-18-4.
What is the molecular formula of CID 95471?
The molecular formula of CID 95471 is C13H16O.
What is the molecular weight of CID 95471?
The molecular weight of CID 95471 is 188.12 g/mol.
Where can I buy CID 95471?
You can request a quote for CID 95471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 95471?
Yes, KEHONG BIO provides custom synthesis services for CID 95471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.