N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
TL;DR: N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 52277-26-6) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: imidazolidino[1,2-a]benzimidazole, N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide, 2,3-dihydro-1H-imidazobenzimidazole, BAS 00700639, BIM-0024788.P001
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 52277-26-6 |
|---|---|
| SMILES | CCNC(=O)C1COC2=CC=CC=C2O1 |
| InChIKey | JXIRDTVHKWSCSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 52277-26-6), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: N-ethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Property Insights of N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide. With a topological polar surface area (TPSA) of 47.6 Ų, N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide has 1 hydrogen bond donor(s) and 3 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-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The CAS number of N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 52277-26-6.
What is the molecular formula of N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular formula of N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide is C11H13NO3.
What is the molecular weight of N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular weight of N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 207.09 g/mol.
Where can I buy N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
You can request a quote for N-ethyl-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-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.