2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine
TL;DR: 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine (CAS 7312-52-9) is a chemical compound with molecular formula C12H18Cl2N2 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[[3-[(2-chloroethylamino)methyl]phenyl]methyl]ethanamine
Also Known As: (2-hydroxy-3-phenoxypropyl) acetate, 1-Phenyl-ether-3-acetate glycerol, n,n'-(benzene-1,3-diyldimethanediyl)bis(2-chloroethanamine), 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine, 2-chloro-N-[[3-[(2-chloroethylamino)methyl]phenyl]methyl]ethanamine
| Molecular Formula | C12H18Cl2N2 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 260.08472 |
| Heavy Atoms | 16 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 7312-52-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)CNCCCl)CNCCCl |
| InChIKey | OQLZEYNCVZINEL-UHFFFAOYSA-N |
Product Overview
2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine (CAS 7312-52-9), with molecular formula C12H18Cl2N2 and molecular weight 260.08 g/mol. IUPAC: 2-chloro-N-[[3-[(2-chloroethylamino)methyl]phenyl]methyl]ethanamine.
Chemical Property Profile of 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine
Property Insights of 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine. With a topological polar surface area (TPSA) of 24.1 Ų, 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine has 2 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 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine?
The CAS number of 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine is 7312-52-9.
What is the molecular formula of 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine?
The molecular formula of 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine is C12H18Cl2N2.
What is the molecular weight of 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine?
The molecular weight of 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine is 260.08 g/mol.
Where can I buy 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine?
You can request a quote for 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-((3-((2-chloroethylamino)methyl)phenyl)methyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.