Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 20228-99-3) is a chemical compound with molecular formula C13H18Cl4N2O2 and molecular weight 374.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[(2,4,6-trichlorophenyl)carbamoyloxy]ethyl]azanium chloride
Also Known As: K 489, 2,4,6-Trichlorocarbanilic acid 2-(diethylamino)ethyl ester hydrochloride, CARBANILIC ACID, 2,4,6-TRICHLORO-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, diethyl-[2-[(2,4,6-trichlorophenyl)carbamoyloxy]ethyl]azanium chloride
| Molecular Formula | C13H18Cl4N2O2 |
|---|---|
| Molecular Weight | 374.01 g/mol |
| LogP | 0.12 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.00928 |
| Heavy Atoms | 21 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 20228-99-3 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)NC1=C(C=C(C=C1Cl)Cl)Cl.[Cl-] |
| InChIKey | KNMQEXUIGSINFV-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 20228-99-3), with molecular formula C13H18Cl4N2O2 and molecular weight 374.01 g/mol. IUPAC: diethyl-[2-[(2,4,6-trichlorophenyl)carbamoyloxy]ethyl]azanium chloride.
Chemical Property Profile of Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of 0.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 42.8 Ų, Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride has 2 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 Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride is 20228-99-3.
What is the molecular formula of Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride is C13H18Cl4N2O2.
What is the molecular weight of Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride is 374.01 g/mol.
Where can I buy Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2,4,6-trichloro-, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.