7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride
TL;DR: 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride (CAS 180386-90-7) is a chemical compound with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylpropan-1-amine;hydrochloride
Also Known As: 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride, 2H-1,5-Benzodioxepin-7-methanamine, 3,4-dihydro-alpha-(2-phenylethyl)-, hydrochloride, 3,4-Dihydro-alpha-(2-phenylethyl)-2H-1,5-benzodioxepin-7-methanamine hydrochloride, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylpropan-1-amine hydrochloride, 1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylpropan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C18H22ClNO2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 3.9023 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.1339 |
| Heavy Atoms | 22 |
| Complexity | 588.89594 |
Chemical Identifiers
| CAS Number | 180386-90-7 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)C(CCC3=CC=CC=C3)N)OC1.Cl |
Product Overview
7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride (CAS 180386-90-7), with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol. IUPAC: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylpropan-1-amine;hydrochloride.
Chemical Property Profile of 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride
Property Insights of 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride
The XLogP value of 3.9023 indicates that 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.48 Ų, 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride 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 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride?
The CAS number of 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride is 180386-90-7.
What is the molecular formula of 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride?
The molecular formula of 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride is C18H22ClNO2.
What is the molecular weight of 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride?
The molecular weight of 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride is 319.13 g/mol.
Where can I buy 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride?
You can request a quote for 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.