Methylhydrocotoin
TL;DR: Methylhydrocotoin (CAS 3770-80-7) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-(2,4,6-trimethoxyphenyl)methanone
Also Known As: 2,4,6-Trimethoxybenzophenone, Methylhydrocotoin, Phenyl(2,4,6-trimethoxyphenyl)methanone, phenyl-(2,4,6-trimethoxyphenyl)methanone, Methanone, phenyl(2,4,6-trimethoxyphenyl)-
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 298.0 |
| Melting Point | 113 - 115 °C |
Chemical Identifiers
| CAS Number | 3770-80-7 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)OC)C(=O)C2=CC=CC=C2)OC |
| InChIKey | KFZFLPQFBYUOHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylhydrocotoin (CAS 3770-80-7), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: phenyl-(2,4,6-trimethoxyphenyl)methanone.
Chemical Property Profile of Methylhydrocotoin
Property Insights of Methylhydrocotoin
The XLogP value of 3.2 indicates that Methylhydrocotoin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Methylhydrocotoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylhydrocotoin has 0 hydrogen bond donor(s) and 4 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 Methylhydrocotoin?
The CAS number of Methylhydrocotoin is 3770-80-7.
What is the molecular formula of Methylhydrocotoin?
The molecular formula of Methylhydrocotoin is C16H16O4.
What is the molecular weight of Methylhydrocotoin?
The molecular weight of Methylhydrocotoin is 272.10 g/mol.
Where can I buy Methylhydrocotoin?
You can request a quote for Methylhydrocotoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylhydrocotoin?
Yes, KEHONG BIO provides custom synthesis services for Methylhydrocotoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.