Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride
TL;DR: Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride (CAS 66859-50-5) 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.
ethyl 4-morpholin-4-ium-4-yl-2,2-diphenylbutanoate chloride
Also Known As: Dioxaphetyl butyrate hydrochloride, 2,2-Diphenyl-4-morpholinobutyric acid ethyl ester hydrochloride, BUTYRIC ACID, 2,2-DIPHENYL-4-MORPHOLINO-, ETHYL ESTER, HYDROCHLORIDE, ethyl 4-morpholin-4-ium-4-yl-2,2-diphenylbutanoate chloride, 4-Morpholinebutanoic acid, .alpha.,.alpha.-diphenyl-, ethyl ester, hydrochloride
| Molecular Formula | C22H28ClNO3 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | -1.15 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.17578 |
| Heavy Atoms | 27 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 66859-50-5 |
|---|---|
| SMILES | CCOC(=O)C(CC[NH+]1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | CINOZJCBWBCZLR-UHFFFAOYSA-N |
Product Overview
Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride (CAS 66859-50-5), with molecular formula C22H28ClNO3 and molecular weight 389.18 g/mol. IUPAC: ethyl 4-morpholin-4-ium-4-yl-2,2-diphenylbutanoate chloride.
Chemical Property Profile of Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride
Property Insights of Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride
The XLogP value of -1.15 indicates that Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl 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, Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl 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 Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride?
The CAS number of Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride is 66859-50-5.
What is the molecular formula of Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride?
The molecular formula of Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride is C22H28ClNO3.
What is the molecular weight of Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride?
The molecular weight of Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride is 389.18 g/mol.
Where can I buy Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride?
You can request a quote for Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 2,2-diphenyl-4-morpholino-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.