RefChem:316388
TL;DR: RefChem:316388 (CAS 2912-90-5) is a chemical compound with molecular formula C24H34ClNO3 and molecular weight 419.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl-[2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl]-ethylazanium chloride
Also Known As: Acetic acid, 2,2-diphenyl-2-ethoxy-, (2-(N-sec-butyl-N-ethylamino)ethyl) ester, hydrochloride, 2,2-Diphenyl-2-ethoxyacetic acid (2-(N-sec-butyl-N-ethylamino)ethyl) ester hydrochloride, 2-[butan-2-yl(ethyl)amino]ethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride, butan-2-yl-[2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl]-ethylazanium chloride, Acetic acid, ethoxydiphenyl-, 2-(sec-butylethylamino)ethyl ester, hydrochloride
| Molecular Formula | C24H34ClNO3 |
|---|---|
| Molecular Weight | 419.22 g/mol |
| LogP | 0.22 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 419.22272 |
| Heavy Atoms | 29 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 2912-90-5 |
|---|---|
| SMILES | CCC(C)[NH+](CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC.[Cl-] |
| InChIKey | NNOMLXCKOVWKLM-UHFFFAOYSA-N |
Product Overview
RefChem:316388 (CAS 2912-90-5), with molecular formula C24H34ClNO3 and molecular weight 419.22 g/mol. IUPAC: butan-2-yl-[2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl]-ethylazanium chloride.
Chemical Property Profile of RefChem:316388
Property Insights of RefChem:316388
The XLogP value of 0.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316388. With a topological polar surface area (TPSA) of 40.0 Ų, RefChem:316388 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:316388 has 1 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:316388?
The CAS number of RefChem:316388 is 2912-90-5.
What is the molecular formula of RefChem:316388?
The molecular formula of RefChem:316388 is C24H34ClNO3.
What is the molecular weight of RefChem:316388?
The molecular weight of RefChem:316388 is 419.22 g/mol.
Where can I buy RefChem:316388?
You can request a quote for RefChem:316388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316388?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.