Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride
TL;DR: Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride (CAS 66859-47-0) is a chemical compound with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxy-4-oxo-3-phenylbutyl)azanium chloride
Also Known As: Ethyl(4-amino-2-phenyl)butyrate hydrochloride, (4-ethoxy-4-oxo-3-phenylbutyl)azanium chloride, BUTYRIC ACID, 4-AMINO-2-PHENYL-, ETHYL ESTER, HYDROCHLORIDE, Benzeneacetic acid, .alpha.-(2-aminoethyl)-, ethyl ester, hydrochloride, RefChem:1080489
| Molecular Formula | C12H18ClNO2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | -2.03 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.1026 |
| Heavy Atoms | 16 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 66859-47-0 |
|---|---|
| SMILES | CCOC(=O)C(CC[NH3+])C1=CC=CC=C1.[Cl-] |
| InChIKey | ZXEMVKXLQWXELP-UHFFFAOYSA-N |
Product Overview
Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride (CAS 66859-47-0), with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol. IUPAC: (4-ethoxy-4-oxo-3-phenylbutyl)azanium chloride.
Chemical Property Profile of Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride
Property Insights of Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride
The XLogP value of -2.03 indicates that Butyric acid, 4-amino-2-phenyl-, 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 53.9 Ų, Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 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, 4-amino-2-phenyl-, ethyl ester, hydrochloride?
The CAS number of Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride is 66859-47-0.
What is the molecular formula of Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride?
The molecular formula of Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride is C12H18ClNO2.
What is the molecular weight of Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride?
The molecular weight of Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride is 243.10 g/mol.
Where can I buy Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride?
You can request a quote for Butyric acid, 4-amino-2-phenyl-, 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, 4-amino-2-phenyl-, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.