1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-
TL;DR: 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro- (CAS 3653-40-5) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane
Also Known As: 2-(1,4-Benzodioxan-2-ylmethyl)hexahydro-1H-azepine, Hexamethylenimine, 1-(1,4-benzodioxin-2-ylmethyl)-, 5-20-04-00056 (Beilstein Handbook Reference), 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane, 1H-AZEPINE, HEXAHYDRO-1-(1,4-BENZODIOXAN-2-YLMETHYL)-
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 3653-40-5 |
|---|---|
| SMILES | C1CCCN(CC1)CC2COC3=CC=CC=C3O2 |
| InChIKey | CFWIHUFVMSAPNI-UHFFFAOYSA-N |
Product Overview
1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro- (CAS 3653-40-5), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane.
Chemical Property Profile of 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-
Property Insights of 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-. With a topological polar surface area (TPSA) of 21.7 Ų, 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro- has 0 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 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-?
The CAS number of 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro- is 3653-40-5.
What is the molecular formula of 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-?
The molecular formula of 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro- is C15H21NO2.
What is the molecular weight of 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-?
The molecular weight of 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro- is 247.16 g/mol.
Where can I buy 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-?
You can request a quote for 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.