beta-Alanine, ethyl ester, hydrochloride
TL;DR: beta-Alanine, ethyl ester, hydrochloride (CAS 4244-84-2) is a chemical compound with molecular formula C5H12ClNO2 and molecular weight 153.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-aminopropanoate;hydrochloride
Also Known As: ethyl 3-aminopropanoate hydrochloride, beta-Alanine ethyl ester hydrochloride, H-beta-Ala-OEt.HCl, h-beta-ala-oet hcl, betaAla-OEt.HCl
| Molecular Formula | C5H12ClNO2 |
|---|---|
| Molecular Weight | 153.06 g/mol |
| LogP | 0.3201 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 153.05565 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 4244-84-2 |
|---|---|
| SMILES | CCOC(=O)CCN.Cl |
| InChIKey | RJCGNNHKSNIUAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, ethyl ester, hydrochloride (CAS 4244-84-2), with molecular formula C5H12ClNO2 and molecular weight 153.06 g/mol. IUPAC: ethyl 3-aminopropanoate;hydrochloride.
Chemical Property Profile of beta-Alanine, ethyl ester, hydrochloride
Property Insights of beta-Alanine, ethyl ester, hydrochloride
The XLogP value of 0.3201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 52.3 Ų, beta-Alanine, ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, ethyl ester, hydrochloride has 2 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 beta-Alanine, ethyl ester, hydrochloride?
The CAS number of beta-Alanine, ethyl ester, hydrochloride is 4244-84-2.
What is the molecular formula of beta-Alanine, ethyl ester, hydrochloride?
The molecular formula of beta-Alanine, ethyl ester, hydrochloride is C5H12ClNO2.
What is the molecular weight of beta-Alanine, ethyl ester, hydrochloride?
The molecular weight of beta-Alanine, ethyl ester, hydrochloride is 153.06 g/mol.
Where can I buy beta-Alanine, ethyl ester, hydrochloride?
You can request a quote for beta-Alanine, 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 beta-Alanine, ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.