![Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate structure](/static/products/2700/27007-54-1.webp)
Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate
TL;DR: Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate (CAS 27007-54-1) is a chemical compound with molecular formula C16H12Cl2O4 and molecular weight 338.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-2-(4-chloro-2-methoxycarbonylphenyl)benzoate
Also Known As: Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate, methyl 5-chloro-2-(4-chloro-2-methoxycarbonylphenyl)benzoate, [1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dichloro-, 2,2'-dimethyl ester
| Molecular Formula | C16H12Cl2O4 |
|---|---|
| Molecular Weight | 338.01 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.01126 |
| Heavy Atoms | 22 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 27007-54-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)Cl)C2=C(C=C(C=C2)Cl)C(=O)OC |
| InChIKey | NJGYBIRDVDKFQK-UHFFFAOYSA-N |
Product Overview
Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate (CAS 27007-54-1), with molecular formula C16H12Cl2O4 and molecular weight 338.01 g/mol. IUPAC: methyl 5-chloro-2-(4-chloro-2-methoxycarbonylphenyl)benzoate.
Chemical Property Profile of Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate
Property Insights of Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate
The XLogP value of 4.5 indicates that Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-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 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-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 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate?
The CAS number of Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate is 27007-54-1.
What is the molecular formula of Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate?
The molecular formula of Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate is C16H12Cl2O4.
What is the molecular weight of Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate?
The molecular weight of Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate is 338.01 g/mol.
Where can I buy Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate?
You can request a quote for Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4,4'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.