Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride
TL;DR: Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride (CAS 66171-58-2) is a chemical compound with molecular formula C14H22ClNO3 and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methoxyphenyl)-2-methylpropan-2-yl] (2S)-2-aminopropanoate;hydrochloride
Also Known As: Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride, 2-(4-Methoxyphenyl)-1,1-dimethyl 2-aminopropanoate hydrochloride, [1-(4-methoxyphenyl)-2-methylpropan-2-yl] (2S)-2-aminopropanoate hydrochloride, 1-(4-Methoxyphenyl)-2-methylpropan-2-yl L-alaninate--hydrogen chloride (1/1), RefChem:317942
| Molecular Formula | C14H22ClNO3 |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 2.3285 |
| Topological Polar Surface Area | 61.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.1288 |
| Heavy Atoms | 19 |
| Complexity | 401.65704 |
Chemical Identifiers
| CAS Number | 66171-58-2 |
|---|---|
| SMILES | C[C@@H](C(=O)OC(C)(C)CC1=CC=C(C=C1)OC)N.Cl |
Product Overview
Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride (CAS 66171-58-2), with molecular formula C14H22ClNO3 and molecular weight 287.13 g/mol. IUPAC: [1-(4-methoxyphenyl)-2-methylpropan-2-yl] (2S)-2-aminopropanoate;hydrochloride.
Chemical Property Profile of Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride
Property Insights of Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride
The XLogP value of 2.3285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride. The TPSA of 61.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride. Following Lipinski's Rule of Five, Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl 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 Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride?
The CAS number of Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride is 66171-58-2.
What is the molecular formula of Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride?
The molecular formula of Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride is C14H22ClNO3.
What is the molecular weight of Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride?
The molecular weight of Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride is 287.13 g/mol.
Where can I buy Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride?
You can request a quote for Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Alanine, 2-(4-methoxyphenyl)-1,1-dimethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.