N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
TL;DR: N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 830342-93-3) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide, F2590-0194, 2-(2H,3H-benzo[3,4-e]1,4-dioxan-6-ylcarbonylamino)-4,5-dimethylthiophene-3-car boxamide, N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 2.48734 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 797.61816 |
Chemical Identifiers
| CAS Number | 830342-93-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC3=C(C=C2)OCCO3)C |
Product Overview
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 830342-93-3), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Property Insights of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
The XLogP value of 2.48734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide. Following Lipinski's Rule of Five, N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has 2 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-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The CAS number of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 830342-93-3.
What is the molecular formula of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular formula of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C16H16N2O4S.
What is the molecular weight of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular weight of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 332.08 g/mol.
Where can I buy N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
You can request a quote for N-(3-carbamoyl-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-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-carbamoyl-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.