4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid
TL;DR: 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid (CAS 345237-05-0) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid
Also Known As: 4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic Acid, Benzoic acid, 4-(3,5-dicyano-1,4-dihydro-2,6-dimethyl-4-pyridinyl)-
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 2.66676 |
| Topological Polar Surface Area | 96.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 707.21216 |
Chemical Identifiers
| CAS Number | 345237-05-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C#N)C2=CC=C(C=C2)C(=O)O)C#N |
Product Overview
4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid (CAS 345237-05-0), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: 4-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid.
Chemical Property Profile of 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid
Property Insights of 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid
The XLogP value of 2.66676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid. The TPSA of 96.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid has 2 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 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid?
The CAS number of 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid is 345237-05-0.
What is the molecular formula of 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid?
The molecular formula of 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid is C16H13N3O2.
What is the molecular weight of 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid?
The molecular weight of 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid is 279.10 g/mol.
Where can I buy 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid?
You can request a quote for 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.