Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride
TL;DR: Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride (CAS 68097-66-5) is a chemical compound with molecular formula C19H33ClN2O3 and molecular weight 372.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-[(3-octoxyphenyl)carbamoyloxy]ethyl]azanium chloride
Also Known As: m-Octyloxycarbanilic acid 2-(dimethylamino)ethyl ester hydrochloride, CARBANILIC ACID, m-OCTYLOXY-, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, dimethyl-[2-[(3-octoxyphenyl)carbamoyloxy]ethyl]azanium chloride, Carbamic acid, [3-(octyloxy)phenyl]-, 2-(dimethylamino)ethyl ester, monohydrochloride, RefChem:333052
| Molecular Formula | C19H33ClN2O3 |
|---|---|
| Molecular Weight | 372.22 g/mol |
| LogP | 0.12 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 372.21796 |
| Heavy Atoms | 25 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 68097-66-5 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=CC(=C1)NC(=O)OCC[NH+](C)C.[Cl-] |
| InChIKey | LXGMMUMNTVESRN-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride (CAS 68097-66-5), with molecular formula C19H33ClN2O3 and molecular weight 372.22 g/mol. IUPAC: dimethyl-[2-[(3-octoxyphenyl)carbamoyloxy]ethyl]azanium chloride.
Chemical Property Profile of Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride
Property Insights of Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride
The XLogP value of 0.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride has 2 hydrogen bond donor(s) and 4 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, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride?
The CAS number of Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride is 68097-66-5.
What is the molecular formula of Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride?
The molecular formula of Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride is C19H33ClN2O3.
What is the molecular weight of Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride?
The molecular weight of Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride is 372.22 g/mol.
Where can I buy Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride?
You can request a quote for Carbanilic acid, m-octyloxy-, 2-(dimethylamino)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, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, m-octyloxy-, 2-(dimethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.