Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride
TL;DR: Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride (CAS 28786-93-8) is a chemical compound with molecular formula C22H32ClNO2 and molecular weight 377.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethylamino)pent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate;hydrochloride
Also Known As: Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride, 5-(Diethylamino)pent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate--hydrogen chloride (1/1), 5-diethylaminopent-3-yn-2-yl1-phenylcyclohexane-1-carboxylatehydrochloride, 5-(diethylamino)pent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate hydrochloride, 5-(diethylamino)pent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate,hydrochloride
| Molecular Formula | C22H32ClNO2 |
|---|---|
| Molecular Weight | 377.21 g/mol |
| LogP | 4.5872 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.21216 |
| Heavy Atoms | 26 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 28786-93-8 |
|---|---|
| SMILES | CCN(CC)CC#CC(C)OC(=O)C1(CCCCC1)C2=CC=CC=C2.Cl |
| InChIKey | XOQZFCJEYYTWOL-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride (CAS 28786-93-8), with molecular formula C22H32ClNO2 and molecular weight 377.21 g/mol. IUPAC: 5-(diethylamino)pent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate;hydrochloride.
Chemical Property Profile of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride
Property Insights of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride
The XLogP value of 4.5872 indicates that Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride has 1 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 Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride?
The CAS number of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride is 28786-93-8.
What is the molecular formula of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride?
The molecular formula of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride is C22H32ClNO2.
What is the molecular weight of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride?
The molecular weight of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride is 377.21 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride?
You can request a quote for Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.