Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1)
TL;DR: Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 53404-23-2) is a chemical compound with molecular formula C12H18ClNO5 and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: Diethanolamine 4-chlorophenoxyacetate, 4-Chlorophenoxyacetic acid diethanolamine salt, Diethanolamine salt of 4-CPA, Ethanol, 2,2'-iminobis-, (4-chlorophenoxy)acetate (salt), Acetic acid, (p-chlorophenoxy)-, compd. with 2,2'-iminodiethanol
| Molecular Formula | C12H18ClNO5 |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 0.36 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 291.08734 |
| Heavy Atoms | 19 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 53404-23-2 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)O)Cl.C(CO)NCCO |
| InChIKey | WVWKBBSRDNKDIX-UHFFFAOYSA-N |
Product Overview
Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 53404-23-2), with molecular formula C12H18ClNO5 and molecular weight 291.09 g/mol. IUPAC: 2-(4-chlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1)
Property Insights of Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1)
The XLogP value of 0.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1). The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1). Following Lipinski's Rule of Five, Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1) has 4 hydrogen bond donor(s) and 6 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)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The CAS number of Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1) is 53404-23-2.
What is the molecular formula of Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular formula of Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1) is C12H18ClNO5.
What is the molecular weight of Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular weight of Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1) is 291.09 g/mol.
Where can I buy Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
You can request a quote for Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1) 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)-, compd. with 2,2'-iminobis(ethanol) (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.