N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 896303-39-2) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide, F2590-0057, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide, N-(3-cyano-4,5-dimethyl-2-thienyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 3.26012 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 789.4191 |
Chemical Identifiers
| CAS Number | 896303-39-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(C=C2)OCCO3)C |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 896303-39-2), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
The XLogP value of 3.26012 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-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-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 896303-39-2.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C16H14N2O3S.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 314.07 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.