Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride
TL;DR: Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride (CAS 64046-43-1) is a chemical compound with molecular formula C9H16Cl3NO4 and molecular weight 307.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-(2-chloroacetyl)oxyethyl]-methylazanium chloride
Also Known As: S 42, N,N-Bis-(2-(chloroacetoxy)ethyl)-N-methyl amine hydrochloride, ACETIC ACID, CHLORO-, DIESTER with METHYLDIETHANOLAMINE, HYDROCHLORIDE, bis[2-(2-chloroacetyl)oxyethyl]-methylazanium chloride, Acetic acid, chloro-, (methylimino)di-2,1-ethanediyl ester, hydrochloride
| Molecular Formula | C9H16Cl3NO4 |
|---|---|
| Molecular Weight | 307.01 g/mol |
| LogP | -3.93 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 307.0145 |
| Heavy Atoms | 17 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 64046-43-1 |
|---|---|
| SMILES | C[NH+](CCOC(=O)CCl)CCOC(=O)CCl.[Cl-] |
| InChIKey | QWTQOHRMBHDPGD-UHFFFAOYSA-N |
Product Overview
Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride (CAS 64046-43-1), with molecular formula C9H16Cl3NO4 and molecular weight 307.01 g/mol. IUPAC: bis[2-(2-chloroacetyl)oxyethyl]-methylazanium chloride.
Chemical Property Profile of Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride
Property Insights of Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride
The XLogP value of -3.93 indicates that Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.0 Ų, Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride 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 Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride?
The CAS number of Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride is 64046-43-1.
What is the molecular formula of Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride?
The molecular formula of Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride is C9H16Cl3NO4.
What is the molecular weight of Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride?
The molecular weight of Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride is 307.01 g/mol.
Where can I buy Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride?
You can request a quote for Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, chloro-, diester with methyldiethanolamine, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.