NCIOpen2_002196
TL;DR: NCIOpen2_002196 (CAS 6948-66-9) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxy-3-methoxy-5-methylphenyl)-3-phenylprop-2-en-1-one
Also Known As: NCIOpen2_002196, NCI60_004366, 1-(2-hydroxy-3-methoxy-5-methylphenyl)-3-phenylprop-2-en-1-one, 1-(2-hydroxy-3-methoxy-5-methylphenyl)-3-phenylprop-2-en-1-o
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 6948-66-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)OC)O)C(=O)C=CC2=CC=CC=C2 |
| InChIKey | YDTZQVNVCMFHSQ-UHFFFAOYSA-N |
Product Overview
NCIOpen2_002196 (CAS 6948-66-9), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: 1-(2-hydroxy-3-methoxy-5-methylphenyl)-3-phenylprop-2-en-1-one.
Chemical Property Profile of NCIOpen2_002196
Property Insights of NCIOpen2_002196
The XLogP value of 4.2 indicates that NCIOpen2_002196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, NCIOpen2_002196 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_002196 has 1 hydrogen bond donor(s) and 3 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 NCIOpen2_002196?
The CAS number of NCIOpen2_002196 is 6948-66-9.
What is the molecular formula of NCIOpen2_002196?
The molecular formula of NCIOpen2_002196 is C17H16O3.
What is the molecular weight of NCIOpen2_002196?
The molecular weight of NCIOpen2_002196 is 268.11 g/mol.
Where can I buy NCIOpen2_002196?
You can request a quote for NCIOpen2_002196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_002196?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_002196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.