![2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol structure](/static/products/880/880804-91-1.png)
2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol
TL;DR: 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol (CAS 880804-91-1) is a chemical compound with molecular formula C13H20ClNO3 and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butan-1-ol
Also Known As: 2-[(3-chloro-4,5-dimethoxybenzyl)amino]-1-butanol, 2-[(3-chloro-4,5-dimethoxybenzyl)amino]butan-1-ol, AN-465/42519030, 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butan-1-ol, 2-(3-Chloro-4,5-dimethoxy-benzylamino)-butan-1-ol
| Molecular Formula | C13H20ClNO3 |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | 2.2177 |
| Topological Polar Surface Area | 50.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.11316 |
| Heavy Atoms | 18 |
| Complexity | 380.74426 |
Chemical Identifiers
| CAS Number | 880804-91-1 |
|---|---|
| SMILES | CCC(CO)NCC1=CC(=C(C(=C1)Cl)OC)OC |
Product Overview
2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol (CAS 880804-91-1), with molecular formula C13H20ClNO3 and molecular weight 273.11 g/mol. IUPAC: 2-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butan-1-ol.
Chemical Property Profile of 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol
Property Insights of 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol
The XLogP value of 2.2177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol. With a topological polar surface area (TPSA) of 50.72 Ų, 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol has 2 hydrogen bond donor(s) and 4 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-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol?
The CAS number of 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol is 880804-91-1.
What is the molecular formula of 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol?
The molecular formula of 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol is C13H20ClNO3.
What is the molecular weight of 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol?
The molecular weight of 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol is 273.11 g/mol.
Where can I buy 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol?
You can request a quote for 2-[(3-Chloro-4,5-dimethoxybenzyl)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-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chloro-4,5-dimethoxybenzyl)amino]-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.