N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine
TL;DR: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine (CAS 844652-32-0) is a chemical compound with molecular formula C18H21NO2 and molecular weight 283.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine
Also Known As: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine, N-((1,5-dihydrobenzo[e][1,3]dioxepin-3-yl)methyl)-2-phenylethanamine, N-(3,5-dioxabicyclo[5.4.0]undeca-7,9,11-trien-4-ylmethyl)-2-phenyl-ethanamine
| Molecular Formula | C18H21NO2 |
|---|---|
| Molecular Weight | 283.16 g/mol |
| LogP | 2.8918 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.15723 |
| Heavy Atoms | 21 |
| Complexity | 529.1546 |
Chemical Identifiers
| CAS Number | 844652-32-0 |
|---|---|
| SMILES | C1C2=CC=CC=C2COC(O1)CNCCC3=CC=CC=C3 |
Product Overview
N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine (CAS 844652-32-0), with molecular formula C18H21NO2 and molecular weight 283.16 g/mol. IUPAC: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine.
Chemical Property Profile of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine
Property Insights of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine
The XLogP value of 2.8918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine. With a topological polar surface area (TPSA) of 30.49 Ų, N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine 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-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine?
The CAS number of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine is 844652-32-0.
What is the molecular formula of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine?
The molecular formula of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine is C18H21NO2.
What is the molecular weight of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine?
The molecular weight of N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine is 283.16 g/mol.
Where can I buy N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine?
You can request a quote for N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine 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-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-2-phenylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.