Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride
TL;DR: Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride (CAS 80712-96-5) is a chemical compound with molecular formula C21H24Cl3NO6 and molecular weight 491.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(4-chlorophenoxy)acetyl]oxyethyl-methylamino]ethyl 2-(4-chlorophenoxy)acetate;hydrochloride
Also Known As: Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride, (Methylimino)di-2,1-ethanediyl (4-chlorophenoxy)acetate hydrochloride, Bis(4-Chlor-phenoxyacetate) de N-methyl-diethanolamine chlorhydrate, Bis(4-Chlor-phenoxyacetate) de N-methyl-diethanolamine chlorhydrate [French], (Methylazanediyl)di(ethane-2,1-diyl) bis[(4-chlorophenoxy)acetate]--hydrogen chloride (1/1)
| Molecular Formula | C21H24Cl3NO6 |
|---|---|
| Molecular Weight | 491.07 g/mol |
| LogP | 3.8912 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 491.06693 |
| Heavy Atoms | 31 |
| Complexity | 734.2673 |
Chemical Identifiers
| CAS Number | 80712-96-5 |
|---|---|
| SMILES | CN(CCOC(=O)COC1=CC=C(C=C1)Cl)CCOC(=O)COC2=CC=C(C=C2)Cl.Cl |
Product Overview
Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride (CAS 80712-96-5), with molecular formula C21H24Cl3NO6 and molecular weight 491.07 g/mol. IUPAC: 2-[2-[2-(4-chlorophenoxy)acetyl]oxyethyl-methylamino]ethyl 2-(4-chlorophenoxy)acetate;hydrochloride.
Chemical Property Profile of Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride
Property Insights of Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride
The XLogP value of 3.8912 indicates that Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride. Following Lipinski's Rule of Five, Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride has 0 hydrogen bond donor(s) and 7 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, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride?
The CAS number of Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride is 80712-96-5.
What is the molecular formula of Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride?
The molecular formula of Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride is C21H24Cl3NO6.
What is the molecular weight of Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride?
The molecular weight of Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride is 491.07 g/mol.
Where can I buy Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride?
You can request a quote for Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, 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, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (4-chlorophenoxy)-, (methylimino)di-2,1-ethanediyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.