4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride
TL;DR: 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride (CAS 17781-96-3) is a chemical compound with molecular formula C21H30ClNO2 and molecular weight 363.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)but-2-ynyl 1-phenylcyclohexane-1-carboxylate;hydrochloride
Also Known As: 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride, Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-2-butynyl ester, hydrochloride, 4-(diethylamino)but-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride, 4-(Diethylamino)but-2-yn-1-yl 1-phenylcyclohexane-1-carboxylate--hydrogen chloride (1/1), RefChem:335328
| Molecular Formula | C21H30ClNO2 |
|---|---|
| Molecular Weight | 363.20 g/mol |
| LogP | 4.1987 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.1965 |
| Heavy Atoms | 25 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 17781-96-3 |
|---|---|
| SMILES | CCN(CC)CC#CCOC(=O)C1(CCCCC1)C2=CC=CC=C2.Cl |
| InChIKey | CGMIPPASCMWPPE-UHFFFAOYSA-N |
Product Overview
4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride (CAS 17781-96-3), with molecular formula C21H30ClNO2 and molecular weight 363.20 g/mol. IUPAC: 4-(diethylamino)but-2-ynyl 1-phenylcyclohexane-1-carboxylate;hydrochloride.
Chemical Property Profile of 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride
Property Insights of 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride
The XLogP value of 4.1987 indicates that 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate 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, 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate 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 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride?
The CAS number of 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride is 17781-96-3.
What is the molecular formula of 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride?
The molecular formula of 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride is C21H30ClNO2.
What is the molecular weight of 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride?
The molecular weight of 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride is 363.20 g/mol.
Where can I buy 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride?
You can request a quote for 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.