羟基二乙基苯胺
TL;DR: 羟基二乙基苯胺 (CAS 13073-96-6) is a chemical compound with molecular formula C21H30Cl2N2O2 and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟基二乙基苯胺
2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol;dihydrochloride
Also Known As: Decloxizine Dihydrochloride, Hydroxydiethylphenamine, Decloxizine diHCl, Decloxizine hydrochloride, Decloxizin HCL
| Molecular Formula | C21H30Cl2N2O2 |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 3.25 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.16843 |
| Heavy Atoms | 27 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 13073-96-6 |
|---|---|
| SMILES | C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl |
| InChIKey | RBSDUJACXBVDDN-UHFFFAOYSA-N |
Product Overview
羟基二乙基苯胺 (CAS 13073-96-6), with molecular formula C21H30Cl2N2O2 and molecular weight 412.17 g/mol. IUPAC: 2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol;dihydrochloride.
Chemical Property Profile of 羟基二乙基苯胺
Property Insights of 羟基二乙基苯胺
The XLogP value of 3.25 indicates that 羟基二乙基苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, 羟基二乙基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 羟基二乙基苯胺 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 羟基二乙基苯胺?
The CAS number of 羟基二乙基苯胺 is 13073-96-6.
What is the molecular formula of 羟基二乙基苯胺?
The molecular formula of 羟基二乙基苯胺 is C21H30Cl2N2O2.
What is the molecular weight of 羟基二乙基苯胺?
The molecular weight of 羟基二乙基苯胺 is 412.17 g/mol.
Where can I buy 羟基二乙基苯胺?
You can request a quote for 羟基二乙基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟基二乙基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 羟基二乙基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.