![2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol structure](/static/products/861/861444-29-3.png)
2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol
TL;DR: 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol (CAS 861444-29-3) is a chemical compound with molecular formula C12H18BrNO2 and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromo-2-methoxyphenyl)methylamino]butan-1-ol
Also Known As: 2-[(5-bromo-2-methoxybenzyl)amino]-1-butanol, 2-[(5-bromo-2-methoxyphenyl)methylamino]butan-1-ol, 2-[(5-bromo-2-methoxybenzyl)amino]butan-1-ol, AN-465/42243839, 2-[(5-bromo-2-methoxy-phenyl)methylamino]butan-1-ol
| Molecular Formula | C12H18BrNO2 |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 2.3182 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.0521 |
| Heavy Atoms | 16 |
| Complexity | 326.79483 |
Chemical Identifiers
| CAS Number | 861444-29-3 |
|---|---|
| SMILES | CCC(CO)NCC1=C(C=CC(=C1)Br)OC |
Product Overview
2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol (CAS 861444-29-3), with molecular formula C12H18BrNO2 and molecular weight 287.05 g/mol. IUPAC: 2-[(5-bromo-2-methoxyphenyl)methylamino]butan-1-ol.
Chemical Property Profile of 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol
Property Insights of 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol
The XLogP value of 2.3182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol. With a topological polar surface area (TPSA) of 41.49 Ų, 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol has 2 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 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol?
The CAS number of 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol is 861444-29-3.
What is the molecular formula of 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol?
The molecular formula of 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol is C12H18BrNO2.
What is the molecular weight of 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol?
The molecular weight of 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol is 287.05 g/mol.
Where can I buy 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol?
You can request a quote for 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Bromo-2-methoxybenzyl)amino]-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.