2,3-Dimethylphenyl isonicotinate
TL;DR: 2,3-Dimethylphenyl isonicotinate (CAS 723759-40-8) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethylphenyl) pyridine-4-carboxylate
Also Known As: 2,3-dimethylphenyl isonicotinate, (2,3-dimethylphenyl) pyridine-4-carboxylate, AN-652/42191130
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.91764 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 535.1734 |
Chemical Identifiers
| CAS Number | 723759-40-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OC(=O)C2=CC=NC=C2)C |
Product Overview
2,3-Dimethylphenyl isonicotinate (CAS 723759-40-8), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: (2,3-dimethylphenyl) pyridine-4-carboxylate.
Chemical Property Profile of 2,3-Dimethylphenyl isonicotinate
Property Insights of 2,3-Dimethylphenyl isonicotinate
The XLogP value of 2.91764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethylphenyl isonicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, 2,3-Dimethylphenyl isonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylphenyl isonicotinate has 0 hydrogen bond donor(s) and 3 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 2,3-Dimethylphenyl isonicotinate?
The CAS number of 2,3-Dimethylphenyl isonicotinate is 723759-40-8.
What is the molecular formula of 2,3-Dimethylphenyl isonicotinate?
The molecular formula of 2,3-Dimethylphenyl isonicotinate is C14H13NO2.
What is the molecular weight of 2,3-Dimethylphenyl isonicotinate?
The molecular weight of 2,3-Dimethylphenyl isonicotinate is 227.09 g/mol.
Where can I buy 2,3-Dimethylphenyl isonicotinate?
You can request a quote for 2,3-Dimethylphenyl isonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylphenyl isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylphenyl isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.