Dimethyl diphenate
TL;DR: Dimethyl diphenate (CAS 5807-64-7) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methoxycarbonylphenyl)benzoate
Also Known As: Dimethyl diphenate, Diphenic acid, dimethyl ester, Diphenic acid dimethyl ester, Maybridge3_004387, 2,2'-dimethyl diphenate
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 5807-64-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)OC |
| InChIKey | CGTYPNOFVGYUED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl diphenate (CAS 5807-64-7), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: methyl 2-(2-methoxycarbonylphenyl)benzoate.
Chemical Property Profile of Dimethyl diphenate
Property Insights of Dimethyl diphenate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl diphenate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl diphenate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl diphenate 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 Dimethyl diphenate?
The CAS number of Dimethyl diphenate is 5807-64-7.
What is the molecular formula of Dimethyl diphenate?
The molecular formula of Dimethyl diphenate is C16H14O4.
What is the molecular weight of Dimethyl diphenate?
The molecular weight of Dimethyl diphenate is 270.09 g/mol.
Where can I buy Dimethyl diphenate?
You can request a quote for Dimethyl diphenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl diphenate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl diphenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.