L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)
TL;DR: L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1) (CAS 14358-33-9) is a chemical compound with molecular formula C6H12ClNO4 and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2S)-2-aminobutanedioate;hydrochloride
Also Known As: H-Asp(ome)-OMe HCl, L-Aspartic acid dimethyl ester hydrochloride, null, H-Asp(OMe)-OMe.HCl, Dimethyl L-aspartate hydrochloride
| Molecular Formula | C6H12ClNO4 |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | -0.5284 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.04549 |
| Heavy Atoms | 12 |
| Complexity | 161.62708 |
Chemical Identifiers
| CAS Number | 14358-33-9 |
|---|---|
| SMILES | COC(=O)C[C@@H](C(=O)OC)N.Cl |
Product Overview
L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1) (CAS 14358-33-9), with molecular formula C6H12ClNO4 and molecular weight 197.05 g/mol. IUPAC: dimethyl (2S)-2-aminobutanedioate;hydrochloride.
Chemical Property Profile of L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)
Property Insights of L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)
The XLogP value of -0.5284 indicates that L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1). Following Lipinski's Rule of Five, L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1) has 1 hydrogen bond donor(s) and 5 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 L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)?
The CAS number of L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1) is 14358-33-9.
What is the molecular formula of L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)?
The molecular formula of L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1) is C6H12ClNO4.
What is the molecular weight of L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)?
The molecular weight of L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1) is 197.05 g/mol.
Where can I buy L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)?
You can request a quote for L-Aspartic acid, 1,4-dimethyl 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 L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.