2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
TL;DR: 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1) (CAS 2014-30-4) is a chemical compound with molecular formula C14H21Cl2NO2 and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-chloro-6-methylphenoxy)-1-oxopropan-2-yl]-diethylazanium chloride
Also Known As: L-N,N-Diethylalanine 6-chloro-o-tolyl ester hydrochloride, ALANINE, N,N-DIETHYL-, 6-CHLORO-o-TOLYL ESTER, L-, HYDROCHLORIDE, [1-(2-chloro-6-methylphenoxy)-1-oxopropan-2-yl]-diethylazanium chloride, 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1), RefChem:1062799
| Molecular Formula | C14H21Cl2NO2 |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | -1.13 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.09494 |
| Heavy Atoms | 19 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 2014-30-4 |
|---|---|
| SMILES | CC[NH+](CC)C(C)C(=O)OC1=C(C=CC=C1Cl)C.[Cl-] |
| InChIKey | SFBFQUNOEIVWBN-UHFFFAOYSA-N |
Product Overview
2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1) (CAS 2014-30-4), with molecular formula C14H21Cl2NO2 and molecular weight 305.09 g/mol. IUPAC: [1-(2-chloro-6-methylphenoxy)-1-oxopropan-2-yl]-diethylazanium chloride.
Chemical Property Profile of 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
Property Insights of 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
The XLogP value of -1.13 indicates that 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1) 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, 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1) 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 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)?
The CAS number of 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1) is 2014-30-4.
What is the molecular formula of 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)?
The molecular formula of 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1) is C14H21Cl2NO2.
What is the molecular weight of 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)?
The molecular weight of 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1) is 305.09 g/mol.
Where can I buy 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)?
You can request a quote for 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.