N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide
TL;DR: N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide (CAS 897535-80-7) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide
Also Known As: N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide, N-(2H-13-BENZODIOXOL-5-YL)AZEPANE-1-CARBOXAMIDE, N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)azaperhydroepinylcarboxamide
| Molecular Formula | C14H18N2O3 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 2.8232 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.13174 |
| Heavy Atoms | 19 |
| Complexity | 467.7589 |
Chemical Identifiers
| CAS Number | 897535-80-7 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide (CAS 897535-80-7), with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide
Property Insights of N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide
The XLogP value of 2.8232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide. With a topological polar surface area (TPSA) of 50.8 Ų, N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)azepane-1-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-(1,3-benzodioxol-5-yl)azepane-1-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide is 897535-80-7.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide is C14H18N2O3.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide is 262.13 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)azepane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.