RefChem:1076712
TL;DR: RefChem:1076712 (CAS 64048-31-3) is a chemical compound with molecular formula C11H27Cl3N2O2 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloroethyl(ethyl)azaniumyl]ethyl-bis(2-hydroxyethyl)-methylazanium dichloride
Also Known As: Ammonium, (2-(N-(2-chloroethyl)-N-ethylamino)ethyl)bis(2-hydroxyethyl)methyl-, chloride, hydrochloride, Ethyl-beta-chloroethyl-bis(beta-hydroxyethyl)methylammoniumethylamine chloride hydrochloride, 2-[2-chloroethyl(ethyl)azaniumyl]ethyl-bis(2-hydroxyethyl)-methylazanium dichloride, Ethanaminium, 2-[(2-chloroethyl)ethylamino]-N,N-bis(2-hydroxyethyl)-N-methyl-, chloride, hydrochloride, RefChem:1076712
| Molecular Formula | C11H27Cl3N2O2 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | -7.43 |
| Topological Polar Surface Area | 44.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 324.1138 |
| Heavy Atoms | 18 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 64048-31-3 |
|---|---|
| SMILES | CC[NH+](CC[N+](C)(CCO)CCO)CCCl.[Cl-].[Cl-] |
| InChIKey | AKNQQSSAVGTWND-UHFFFAOYSA-M |
Product Overview
RefChem:1076712 (CAS 64048-31-3), with molecular formula C11H27Cl3N2O2 and molecular weight 324.11 g/mol. IUPAC: 2-[2-chloroethyl(ethyl)azaniumyl]ethyl-bis(2-hydroxyethyl)-methylazanium dichloride.
Chemical Property Profile of RefChem:1076712
Property Insights of RefChem:1076712
The XLogP value of -7.43 indicates that RefChem:1076712 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.9 Ų, RefChem:1076712 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1076712 has 3 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 RefChem:1076712?
The CAS number of RefChem:1076712 is 64048-31-3.
What is the molecular formula of RefChem:1076712?
The molecular formula of RefChem:1076712 is C11H27Cl3N2O2.
What is the molecular weight of RefChem:1076712?
The molecular weight of RefChem:1076712 is 324.11 g/mol.
Where can I buy RefChem:1076712?
You can request a quote for RefChem:1076712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076712?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.