Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride
TL;DR: Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride (CAS 66902-44-1) is a chemical compound with molecular formula C22H28ClNO3 and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-ium-4-ylbutyl 2,2-diphenylacetate chloride
Also Known As: 2,2-Diphenylacetic acid (4-morpholinobutyl) ester hydrochloride, delta-4-Morpholinebutyl diphenylacetate hydrochloride, 4-morpholin-4-ium-4-ylbutyl 2,2-diphenylacetate chloride, ACETIC ACID, 2,2-DIPHENYL-, (4-MORPHOLINOBUTYL) ESTER, HYDROCHLORIDE, Benzeneacetic acid, .alpha.-phenyl-, 4-(4-morpholinyl)butyl ester, hydrochloride
| Molecular Formula | C22H28ClNO3 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | -0.94 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.17578 |
| Heavy Atoms | 27 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 66902-44-1 |
|---|---|
| SMILES | C1COCC[NH+]1CCCCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | HRWCRONDBQGTNE-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride (CAS 66902-44-1), with molecular formula C22H28ClNO3 and molecular weight 389.18 g/mol. IUPAC: 4-morpholin-4-ium-4-ylbutyl 2,2-diphenylacetate chloride.
Chemical Property Profile of Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride
Property Insights of Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride
The XLogP value of -0.94 indicates that Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride 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 Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride?
The CAS number of Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride is 66902-44-1.
What is the molecular formula of Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride?
The molecular formula of Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride is C22H28ClNO3.
What is the molecular weight of Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride?
The molecular weight of Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride is 389.18 g/mol.
Where can I buy Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride?
You can request a quote for Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2,2-diphenyl-, (4-morpholinobutyl) ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.