N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine
TL;DR: N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine (CAS 893598-23-7) is a chemical compound with molecular formula C13H21BrN2O and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
Also Known As: N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine, N-[(5-bromo-2-methoxy-phenyl)methyl]-N',N'-dimethyl-propane-1,3-diamine, N-[(5-bromo-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
| Molecular Formula | C13H21BrN2O |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 2.499 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.08374 |
| Heavy Atoms | 17 |
| Complexity | 342.19138 |
Chemical Identifiers
| CAS Number | 893598-23-7 |
|---|---|
| SMILES | CN(C)CCCNCC1=C(C=CC(=C1)Br)OC |
Product Overview
N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine (CAS 893598-23-7), with molecular formula C13H21BrN2O and molecular weight 300.08 g/mol. IUPAC: N-[(5-bromo-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine.
Chemical Property Profile of N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine
Property Insights of N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine
The XLogP value of 2.499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine. With a topological polar surface area (TPSA) of 24.5 Ų, N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine 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 N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine?
The CAS number of N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine is 893598-23-7.
What is the molecular formula of N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine?
The molecular formula of N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine is C13H21BrN2O.
What is the molecular weight of N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine?
The molecular weight of N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine is 300.08 g/mol.
Where can I buy N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine?
You can request a quote for N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N1-(5-Bromo-2-methoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.