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Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate
TL;DR: Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate (CAS 39775-31-0) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
Also Known As: Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate, dimethyl 2,2'-bisnicotinate, 2,2'-Bipyridine-3,3'-dicarboxylic acid dimethyl ester, 2,2-Bipyridine-3,3-dicarboxylic acid dimethyl ester, methyl 2-(3-methoxycarbonylpyridin-2-yl)pyridine-3-carboxylate
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 39775-31-0 |
|---|---|
| SMILES | COC(=O)C1=C(N=CC=C1)C2=C(C=CC=N2)C(=O)OC |
| InChIKey | SQQPYWUOEFGOCD-UHFFFAOYSA-N |
Product Overview
Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate (CAS 39775-31-0), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: methyl 2-(3-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate.
Chemical Property Profile of Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate
Property Insights of Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate has 0 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'-bipyridine]-3,3'-dicarboxylate?
The CAS number of Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate is 39775-31-0.
What is the molecular formula of Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate?
The molecular formula of Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate is C14H12N2O4.
What is the molecular weight of Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate?
The molecular weight of Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate is 272.08 g/mol.
Where can I buy Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate?
You can request a quote for Dimethyl [2,2'-bipyridine]-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 [2,2'-bipyridine]-3,3'-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl [2,2'-bipyridine]-3,3'-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.