Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride
TL;DR: Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride (CAS 67196-00-3) is a chemical compound with molecular formula C17H29ClN2O2 and molecular weight 328.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride
Also Known As: 2-((1-Methylheptyl)amino)ethyl carbanilate hydrochloride, octan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride, CARBANILIC ACID, 2-((1-METHYLHEPTYL)AMINO)ETHYL ESTER, HYDROCHLORIDE, Ethanol, 2-[(1-methylheptyl)amino]-, phenylcarbamate (ester), monohydrochloride, RefChem:1081059
| Molecular Formula | C17H29ClN2O2 |
|---|---|
| Molecular Weight | 328.19 g/mol |
| LogP | 0.16 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 328.19174 |
| Heavy Atoms | 22 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 67196-00-3 |
|---|---|
| SMILES | CCCCCCC(C)[NH2+]CCOC(=O)NC1=CC=CC=C1.[Cl-] |
| InChIKey | ZINRTEHIUIBFSI-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride (CAS 67196-00-3), with molecular formula C17H29ClN2O2 and molecular weight 328.19 g/mol. IUPAC: octan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride.
Chemical Property Profile of Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride
Property Insights of Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride
The XLogP value of 0.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 54.9 Ų, Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2-((1-methylheptyl)amino)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-((1-methylheptyl)amino)ethyl ester, hydrochloride?
The CAS number of Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride is 67196-00-3.
What is the molecular formula of Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride?
The molecular formula of Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride is C17H29ClN2O2.
What is the molecular weight of Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride?
The molecular weight of Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride is 328.19 g/mol.
Where can I buy Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride?
You can request a quote for Carbanilic acid, 2-((1-methylheptyl)amino)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-((1-methylheptyl)amino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.