N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine
TL;DR: N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine (CAS 893577-03-2) is a chemical compound with molecular formula C14H22BrNO2 and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]butan-2-amine
Also Known As: N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine, N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]butan-2-amine, N-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methyl]butan-2-amine
| Molecular Formula | C14H22BrNO2 |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 3.7445 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.0834 |
| Heavy Atoms | 18 |
| Complexity | 382.3019 |
Chemical Identifiers
| CAS Number | 893577-03-2 |
|---|---|
| SMILES | CCC(C)NCC1=CC(=C(C(=C1)Br)OCC)OC |
Product Overview
N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine (CAS 893577-03-2), with molecular formula C14H22BrNO2 and molecular weight 315.08 g/mol. IUPAC: N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]butan-2-amine.
Chemical Property Profile of N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine
Property Insights of N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine
The XLogP value of 3.7445 indicates that N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-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, N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine 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-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine?
The CAS number of N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine is 893577-03-2.
What is the molecular formula of N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine?
The molecular formula of N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine is C14H22BrNO2.
What is the molecular weight of N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine?
The molecular weight of N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine is 315.08 g/mol.
Where can I buy N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine?
You can request a quote for N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Bromo-4-ethoxy-5-methoxybenzyl)butan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.