Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride
TL;DR: Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride (CAS 101491-77-4) is a chemical compound with molecular formula C23H33ClN2O2 and molecular weight 404.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1-diphenylbutylcarbamoyloxy)ethyl-diethylazanium chloride
Also Known As: VAL 520, 1,1-Diphenylbutylcarbamic acid 2-diethylaminoethyl ester hydrochloride, 2-Pyridyl dimethylcarbamate hydrochloride, 2-(diethylamino)ethylN-(1,1-diphenylbutyl)carbamate, 2-(1,1-diphenylbutylcarbamoyloxy)ethyl-diethylazanium chloride
| Molecular Formula | C23H33ClN2O2 |
|---|---|
| Molecular Weight | 404.22 g/mol |
| LogP | 0.39 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 404.22305 |
| Heavy Atoms | 28 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 101491-77-4 |
|---|---|
| SMILES | CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)OCC[NH+](CC)CC.[Cl-] |
| InChIKey | HSPGRLNJPAMGGH-UHFFFAOYSA-N |
Product Overview
Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride (CAS 101491-77-4), with molecular formula C23H33ClN2O2 and molecular weight 404.22 g/mol. IUPAC: 2-(1,1-diphenylbutylcarbamoyloxy)ethyl-diethylazanium chloride.
Chemical Property Profile of Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride
Property Insights of Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride
The XLogP value of 0.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride. With a topological polar surface area (TPSA) of 42.8 Ų, Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride 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 Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride?
The CAS number of Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride is 101491-77-4.
What is the molecular formula of Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride?
The molecular formula of Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride is C23H33ClN2O2.
What is the molecular weight of Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride?
The molecular weight of Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride is 404.22 g/mol.
Where can I buy Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride?
You can request a quote for Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, 1,1-diphenylbutyl-, 2-diethylaminoethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.