N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid
TL;DR: N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid (CAS 26455-95-8) is a chemical compound with molecular formula C14H21N3O and molecular weight 247.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboxamide
Also Known As: 1,2-Dimethyl-3-pyrazolidinecarboxy-2',6'-xylidide, 3-Pyrazolidinecarboxy-2',6'-xylidide, 1,2-dimethyl-, n-(2,6-dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboxamide, N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid, RefChem:1090884
| Molecular Formula | C14H21N3O |
|---|---|
| Molecular Weight | 247.17 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.16846 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 26455-95-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2CCN(N2C)C |
| InChIKey | HKFAFUJLRDYWCQ-UHFFFAOYSA-N |
Product Overview
N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid (CAS 26455-95-8), with molecular formula C14H21N3O and molecular weight 247.17 g/mol. IUPAC: N-(2,6-dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboxamide.
Chemical Property Profile of N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid
Property Insights of N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid. With a topological polar surface area (TPSA) of 35.6 Ų, N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid has 1 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 N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid?
The CAS number of N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid is 26455-95-8.
What is the molecular formula of N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid?
The molecular formula of N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid is C14H21N3O.
What is the molecular weight of N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid?
The molecular weight of N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid is 247.17 g/mol.
Where can I buy N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid?
You can request a quote for N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-Dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.