Biphenyl-3,5-dicarboxylic acid dimethyl ester
TL;DR: Biphenyl-3,5-dicarboxylic acid dimethyl ester (CAS 21991-00-4) 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.
dimethyl 5-phenylbenzene-1,3-dicarboxylate
Also Known As: dimethyl 5-phenylisophthalate, Dimethyl [1,1'-biphenyl]-3,5-dicarboxylate, dimethyl biphenyl-3,5-dicarboxylate, Dimethyl 5-phenylbenzene-1,3-dicarboxylate, 5-Phenylisophthalic acid dimethyl ester
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.9268 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 597.93005 |
Chemical Identifiers
| CAS Number | 21991-00-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C2=CC=CC=C2)C(=O)OC |
Product Overview
Biphenyl-3,5-dicarboxylic acid dimethyl ester (CAS 21991-00-4), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: dimethyl 5-phenylbenzene-1,3-dicarboxylate.
Chemical Property Profile of Biphenyl-3,5-dicarboxylic acid dimethyl ester
Property Insights of Biphenyl-3,5-dicarboxylic acid dimethyl ester
The XLogP value of 2.9268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Biphenyl-3,5-dicarboxylic acid dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Biphenyl-3,5-dicarboxylic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Biphenyl-3,5-dicarboxylic acid dimethyl ester 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 Biphenyl-3,5-dicarboxylic acid dimethyl ester?
The CAS number of Biphenyl-3,5-dicarboxylic acid dimethyl ester is 21991-00-4.
What is the molecular formula of Biphenyl-3,5-dicarboxylic acid dimethyl ester?
The molecular formula of Biphenyl-3,5-dicarboxylic acid dimethyl ester is C16H14O4.
What is the molecular weight of Biphenyl-3,5-dicarboxylic acid dimethyl ester?
The molecular weight of Biphenyl-3,5-dicarboxylic acid dimethyl ester is 270.09 g/mol.
Where can I buy Biphenyl-3,5-dicarboxylic acid dimethyl ester?
You can request a quote for Biphenyl-3,5-dicarboxylic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Biphenyl-3,5-dicarboxylic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Biphenyl-3,5-dicarboxylic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.