beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride
TL;DR: beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride (CAS 89796-55-4) is a chemical compound with molecular formula C7H15Cl2NO2 and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl-(3-methoxy-3-oxopropyl)-methylazanium chloride
Also Known As: N-(2-Chloroethyl)-N-methyl-beta-alanine methyl ester hydrochloride, 2-chloroethyl-(3-methoxy-3-oxopropyl)-methylazanium chloride, beta-ALANINE, N-(2-CHLOROETHYL)-N-METHYL-, METHYL ESTER, HYDROCHLORIDE, N-Methyl-N-(2-chloroethyl)-beta-alanine methyl ester hydrochloride, 2-chloroethyl-(2-methoxycarbonylethyl)-methyl-azanium chloride
| Molecular Formula | C7H15Cl2NO2 |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | -3.69 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 215.04799 |
| Heavy Atoms | 12 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 89796-55-4 |
|---|---|
| SMILES | C[NH+](CCC(=O)OC)CCCl.[Cl-] |
| InChIKey | YPGQDLVEFYVEDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride (CAS 89796-55-4), with molecular formula C7H15Cl2NO2 and molecular weight 215.05 g/mol. IUPAC: 2-chloroethyl-(3-methoxy-3-oxopropyl)-methylazanium chloride.
Chemical Property Profile of beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride
Property Insights of beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride
The XLogP value of -3.69 indicates that beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl 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 beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride?
The CAS number of beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride is 89796-55-4.
What is the molecular formula of beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride?
The molecular formula of beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride is C7H15Cl2NO2.
What is the molecular weight of beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride?
The molecular weight of beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride is 215.05 g/mol.
Where can I buy beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride?
You can request a quote for beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl 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, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(2-chloroethyl)-N-methyl-, methyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.