![2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide structure](/static/products/5148/514817-89-1.webp)
2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
TL;DR: 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide (CAS 514817-89-1) is a chemical compound with molecular formula C13H13Cl2N3O and molecular weight 297.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
Also Known As: 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide, 2,6-dichloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]benzamide
| Molecular Formula | C13H13Cl2N3O |
|---|---|
| Molecular Weight | 297.04 g/mol |
| LogP | 2.96532 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.04358 |
| Heavy Atoms | 19 |
| Complexity | 602.09607 |
Chemical Identifiers
| CAS Number | 514817-89-1 |
|---|---|
| SMILES | CC1=NN(C=C1CNC(=O)C2=C(C=CC=C2Cl)Cl)C |
Product Overview
2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide (CAS 514817-89-1), with molecular formula C13H13Cl2N3O and molecular weight 297.04 g/mol. IUPAC: 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide.
Chemical Property Profile of 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
Property Insights of 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
The XLogP value of 2.96532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide. With a topological polar surface area (TPSA) of 46.92 Ų, 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide has 1 hydrogen bond donor(s) and 2 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 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide?
The CAS number of 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide is 514817-89-1.
What is the molecular formula of 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide?
The molecular formula of 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide is C13H13Cl2N3O.
What is the molecular weight of 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide?
The molecular weight of 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide is 297.04 g/mol.
Where can I buy 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide?
You can request a quote for 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-dichloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.