![N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium structure](/static/products/4353/435345-27-0.webp)
N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium
TL;DR: N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium (CAS 435345-27-0) is a chemical compound with molecular formula C14H22NO2+ and molecular weight 236.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dihydro-2,4-benzodioxepin-3-ylmethyl(2-methylpropyl)azanium
Also Known As: 3-(pyridin-3-yl)propanehydrazide, (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-isobutyl-amine, 1,5-dihydro-2,4-benzodioxepin-3-ylmethyl(2-methylpropyl)azanium, N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium
| Molecular Formula | C14H22NO2+ |
|---|---|
| Molecular Weight | 236.17 g/mol |
| LogP | 1.2789 |
| Topological Polar Surface Area | 35.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.16505 |
| Heavy Atoms | 17 |
| Complexity | 324.83038 |
Chemical Identifiers
| CAS Number | 435345-27-0 |
|---|---|
| SMILES | CC(C)C[NH2+]CC1OCC2=CC=CC=C2CO1 |
Product Overview
N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium (CAS 435345-27-0), with molecular formula C14H22NO2+ and molecular weight 236.17 g/mol. IUPAC: 1,5-dihydro-2,4-benzodioxepin-3-ylmethyl(2-methylpropyl)azanium.
Chemical Property Profile of N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium
Property Insights of N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium
The XLogP value of 1.2789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium. With a topological polar surface area (TPSA) of 35.07 Ų, N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium has 1 hydrogen bond donor(s) and 2 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-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium?
The CAS number of N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium is 435345-27-0.
What is the molecular formula of N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium?
The molecular formula of N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium is C14H22NO2+.
What is the molecular weight of N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium?
The molecular weight of N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium is 236.17 g/mol.
Where can I buy N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium?
You can request a quote for N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium?
Yes, KEHONG BIO provides custom synthesis services for N-[(1,5-Dihydro-3H-2,4-benzodioxepin-3-yl)methyl]-2-methylpropan-1-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.