3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine
TL;DR: 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine (CAS 433964-49-9) is a chemical compound with molecular formula C23H22ClNO2 and molecular weight 379.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-3-phenylpropan-1-amine
Also Known As: 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine, 3-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-3-phenylpropan-1-amine, 3-(benzo[d][1,3]dioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine, 3-benzo[1,3]dioxol-5-yl-N-[(4-chlorophenyl)methyl]-3-phenyl-propan-1-amine
| Molecular Formula | C23H22ClNO2 |
|---|---|
| Molecular Weight | 379.13 g/mol |
| LogP | 5.3805 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.1339 |
| Heavy Atoms | 27 |
| Complexity | 880.64 |
Chemical Identifiers
| CAS Number | 433964-49-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(CCNCC3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine (CAS 433964-49-9), with molecular formula C23H22ClNO2 and molecular weight 379.13 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-3-phenylpropan-1-amine.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine
Property Insights of 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine
The XLogP value of 5.3805 indicates that 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine?
The CAS number of 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine is 433964-49-9.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine is C23H22ClNO2.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine is 379.13 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-N-(4-chlorobenzyl)-3-phenylpropan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.