N-(Bromoacetyl)homoveratrylamine
TL;DR: N-(Bromoacetyl)homoveratrylamine (CAS 56997-75-2) is a chemical compound with molecular formula C12H16BrNO3 and molecular weight 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: N-(Bromoacetyl)homoveratrylamine, BA-HVTA, Bromacetylhomoveratrylamin, 2-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, N-(Bromoacetyl)-homoveratrylamine
| Molecular Formula | C12H16BrNO3 |
|---|---|
| Molecular Weight | 301.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.03137 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 56997-75-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CBr)OC |
| InChIKey | GNVSTHJMUUQULG-UHFFFAOYSA-N |
Product Overview
N-(Bromoacetyl)homoveratrylamine (CAS 56997-75-2), with molecular formula C12H16BrNO3 and molecular weight 301.03 g/mol. IUPAC: 2-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of N-(Bromoacetyl)homoveratrylamine
Property Insights of N-(Bromoacetyl)homoveratrylamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Bromoacetyl)homoveratrylamine. With a topological polar surface area (TPSA) of 47.6 Ų, N-(Bromoacetyl)homoveratrylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Bromoacetyl)homoveratrylamine 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-(Bromoacetyl)homoveratrylamine?
The CAS number of N-(Bromoacetyl)homoveratrylamine is 56997-75-2.
What is the molecular formula of N-(Bromoacetyl)homoveratrylamine?
The molecular formula of N-(Bromoacetyl)homoveratrylamine is C12H16BrNO3.
What is the molecular weight of N-(Bromoacetyl)homoveratrylamine?
The molecular weight of N-(Bromoacetyl)homoveratrylamine is 301.03 g/mol.
Where can I buy N-(Bromoacetyl)homoveratrylamine?
You can request a quote for N-(Bromoacetyl)homoveratrylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Bromoacetyl)homoveratrylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(Bromoacetyl)homoveratrylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.