![N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide structure](/static/products/312/312601-41-5.png)
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
TL;DR: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 312601-41-5) is a chemical compound with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide, N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide, N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
| Molecular Formula | C16H17N3O4 |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.12192 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 312601-41-5 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)CNC(=O)C2COC3=CC=CC=C3O2)C |
| InChIKey | UTELGUOXRYQSRV-UHFFFAOYSA-N |
Product Overview
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 312601-41-5), with molecular formula C16H17N3O4 and molecular weight 315.12 g/mol. IUPAC: N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Property Insights of N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide. Following Lipinski's Rule of Five, N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide has 1 hydrogen bond donor(s) and 5 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-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The CAS number of N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 312601-41-5.
What is the molecular formula of N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular formula of N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide is C16H17N3O4.
What is the molecular weight of N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular weight of N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 315.12 g/mol.
Where can I buy N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
You can request a quote for N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.