N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide (CAS 329221-57-0) is a chemical compound with molecular formula C15H12N2O3S and molecular weight 300.06 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)-1,3-benzodioxole-5-carboxamide
Also Known As: AB00088063-01, AB00088063-02, N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide, N-(3-cyano-4,5-dimethyl-2-thienyl)-1,3-benzodioxole-5-carboxamide, 2H-benzo[3,4-d]1,3-dioxolen-5-yl-N-(3-cyano-4,5-dimethyl(2-thienyl))carboxamid e
| Molecular Formula | C15H12N2O3S |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.05685 |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 329221-57-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(C=C2)OCO3)C |
| InChIKey | WVSSDXPVVUREGJ-UHFFFAOYSA-N |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide (CAS 329221-57-0), with molecular formula C15H12N2O3S and molecular weight 300.06 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.6 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-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)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide is 329221-57-0.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide is C15H12N2O3S.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide is 300.06 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-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)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.