Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate
TL;DR: Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate (CAS 23933-57-5) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-(2-amino-4-methoxycarbonylphenyl)benzoate
Also Known As: Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate, dimethyl 2,2'-diamino-[1,1'-biphenyl]-4,4'-dicarboxylate, 10.14272/CQJDGQODCKARGV-UHFFFAOYSA-N.1, 10.14272/CQJDGQODCKARGV-UHFFFAOYSA-N.3, AM-944/40947848
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 23933-57-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)OC)N)N |
| InChIKey | CQJDGQODCKARGV-UHFFFAOYSA-N |
Product Overview
Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate (CAS 23933-57-5), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: methyl 3-amino-4-(2-amino-4-methoxycarbonylphenyl)benzoate.
Chemical Property Profile of Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate
Property Insights of Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate has 2 hydrogen bond donor(s) and 6 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 2,2'-diaminobiphenyl-4,4'-dicarboxylate?
The CAS number of Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate is 23933-57-5.
What is the molecular formula of Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate?
The molecular formula of Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate is C16H16N2O4.
What is the molecular weight of Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate?
The molecular weight of Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate is 300.11 g/mol.
Where can I buy Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate?
You can request a quote for Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2'-diaminobiphenyl-4,4'-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.