Dimethyl biphenyl-3,3'-dicarboxylate
TL;DR: Dimethyl biphenyl-3,3'-dicarboxylate (CAS 17616-04-5) 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 3-(3-methoxycarbonylphenyl)benzoate
Also Known As: dimethyl biphenyl-3,3'-dicarboxylate, dimethyl [1,1'-biphenyl]-3,3'-dicarboxylate, NCIOpen2_007076, methyl 3-(3-methoxycarbonylphenyl)benzoate, methyl 3-[3-(methoxycarbonyl)phenyl]benzoate
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.3 |
| 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 | 17616-04-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)OC |
| InChIKey | BCRVAPBPPFMTNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl biphenyl-3,3'-dicarboxylate (CAS 17616-04-5), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: methyl 3-(3-methoxycarbonylphenyl)benzoate.
Chemical Property Profile of Dimethyl biphenyl-3,3'-dicarboxylate
Property Insights of Dimethyl biphenyl-3,3'-dicarboxylate
The XLogP value of 3.3 indicates that Dimethyl biphenyl-3,3'-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl biphenyl-3,3'-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl biphenyl-3,3'-dicarboxylate 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 biphenyl-3,3'-dicarboxylate?
The CAS number of Dimethyl biphenyl-3,3'-dicarboxylate is 17616-04-5.
What is the molecular formula of Dimethyl biphenyl-3,3'-dicarboxylate?
The molecular formula of Dimethyl biphenyl-3,3'-dicarboxylate is C16H14O4.
What is the molecular weight of Dimethyl biphenyl-3,3'-dicarboxylate?
The molecular weight of Dimethyl biphenyl-3,3'-dicarboxylate is 270.09 g/mol.
Where can I buy Dimethyl biphenyl-3,3'-dicarboxylate?
You can request a quote for Dimethyl biphenyl-3,3'-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl biphenyl-3,3'-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl biphenyl-3,3'-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.