N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine
TL;DR: N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine (CAS 893593-06-1) is a chemical compound with molecular formula C12H18ClFN2 and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-6-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
Also Known As: N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine, N'-[(2-chloro-6-fluoro-phenyl)methyl]-N,N-dimethyl-propane-1,3-diamine, N-[(2-chloro-6-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
| Molecular Formula | C12H18ClFN2 |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 2.5204 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.11426 |
| Heavy Atoms | 16 |
| Complexity | 308.54483 |
Chemical Identifiers
| CAS Number | 893593-06-1 |
|---|---|
| SMILES | CN(C)CCCNCC1=C(C=CC=C1Cl)F |
Product Overview
N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine (CAS 893593-06-1), with molecular formula C12H18ClFN2 and molecular weight 244.11 g/mol. IUPAC: N-[(2-chloro-6-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine.
Chemical Property Profile of N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine
Property Insights of N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine
The XLogP value of 2.5204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine. With a topological polar surface area (TPSA) of 15.27 Ų, N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine has 1 hydrogen bond donor(s) and 2 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-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine?
The CAS number of N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine is 893593-06-1.
What is the molecular formula of N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine?
The molecular formula of N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine is C12H18ClFN2.
What is the molecular weight of N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine?
The molecular weight of N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine is 244.11 g/mol.
Where can I buy N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine?
You can request a quote for N1-(2-Chloro-6-fluorobenzyl)-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-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N1-(2-Chloro-6-fluorobenzyl)-N3,N3-dimethylpropane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.