Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)
TL;DR: Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1) (CAS 66859-49-2) is a chemical compound with molecular formula C12H24ClNO3 and molecular weight 265.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ium-4-ylethyl 3,3-dimethylbutanoate chloride
Also Known As: beta-4-Morpholineethyl t-butylacetate hydrochloride, 3,3-Dimethylbutyric acid (2-morpholinoethyl) ester hydrochloride, 2-morpholin-4-ium-4-ylethyl 3,3-dimethylbutanoate chloride, BUTYRIC ACID, 3,3-DIMETHYL-, (2-MORPHOLINOETHYL) ESTER, HYDROCHLORIDE, Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride
| Molecular Formula | C12H24ClNO3 |
|---|---|
| Molecular Weight | 265.14 g/mol |
| LogP | -3.12 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.14447 |
| Heavy Atoms | 17 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 66859-49-2 |
|---|---|
| SMILES | CC(C)(C)CC(=O)OCC[NH+]1CCOCC1.[Cl-] |
| InChIKey | TYCMJBAPZOCRJI-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1) (CAS 66859-49-2), with molecular formula C12H24ClNO3 and molecular weight 265.14 g/mol. IUPAC: 2-morpholin-4-ium-4-ylethyl 3,3-dimethylbutanoate chloride.
Chemical Property Profile of Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)
Property Insights of Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)
The XLogP value of -3.12 indicates that Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1) 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, Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1) 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 Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)?
The CAS number of Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1) is 66859-49-2.
What is the molecular formula of Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)?
The molecular formula of Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1) is C12H24ClNO3.
What is the molecular weight of Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)?
The molecular weight of Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1) is 265.14 g/mol.
Where can I buy Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)?
You can request a quote for Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3,3-dimethyl-, 2-(4-morpholinyl)ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.