3-Bromo-4,5-dimethoxybenzylamine
TL;DR: 3-Bromo-4,5-dimethoxybenzylamine (CAS 887583-02-0) is a chemical compound with molecular formula C9H12BrNO2 and molecular weight 245.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-4,5-dimethoxyphenyl)methanamine
Also Known As: (3-bromo-4,5-dimethoxyphenyl)methanamine, 3-BROMO-4,5-DIMETHOXYBENZYLAMINE, 4-Bromo-2-fluoro-5-methylaniline, Benzenemethanamine,3-bromo-4,5-dimethoxy-, (3-bromo-4,5-dimethoxy-phenyl)methanamine
| Molecular Formula | C9H12BrNO2 |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | 1.925 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.00514 |
| Heavy Atoms | 13 |
| Complexity | 301.91132 |
Chemical Identifiers
| CAS Number | 887583-02-0 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CN)Br)OC |
Product Overview
3-Bromo-4,5-dimethoxybenzylamine (CAS 887583-02-0), with molecular formula C9H12BrNO2 and molecular weight 245.01 g/mol. IUPAC: (3-bromo-4,5-dimethoxyphenyl)methanamine.
Chemical Property Profile of 3-Bromo-4,5-dimethoxybenzylamine
Property Insights of 3-Bromo-4,5-dimethoxybenzylamine
The XLogP value of 1.925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4,5-dimethoxybenzylamine. With a topological polar surface area (TPSA) of 44.48 Ų, 3-Bromo-4,5-dimethoxybenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4,5-dimethoxybenzylamine 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 3-Bromo-4,5-dimethoxybenzylamine?
The CAS number of 3-Bromo-4,5-dimethoxybenzylamine is 887583-02-0.
What is the molecular formula of 3-Bromo-4,5-dimethoxybenzylamine?
The molecular formula of 3-Bromo-4,5-dimethoxybenzylamine is C9H12BrNO2.
What is the molecular weight of 3-Bromo-4,5-dimethoxybenzylamine?
The molecular weight of 3-Bromo-4,5-dimethoxybenzylamine is 245.01 g/mol.
Where can I buy 3-Bromo-4,5-dimethoxybenzylamine?
You can request a quote for 3-Bromo-4,5-dimethoxybenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4,5-dimethoxybenzylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4,5-dimethoxybenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.