Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride
TL;DR: Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride (CAS 17781-99-6) is a chemical compound with molecular formula C21H28ClNO2 and molecular weight 361.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclohexane-1-carboxylate;hydrochloride
Also Known As: Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride, 1-Phenylcyclohexanecarboxylic acid 4-(1-pyrrolidinyl)-2-butynyl ester hydrochloride, 4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride, 4-(Pyrrolidin-1-yl)but-2-yn-1-yl 1-phenylcyclohexane-1-carboxylate--hydrogen chloride (1/1), RefChem:335327
| Molecular Formula | C21H28ClNO2 |
|---|---|
| Molecular Weight | 361.18 g/mol |
| LogP | 3.9527 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.18085 |
| Heavy Atoms | 25 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 17781-99-6 |
|---|---|
| SMILES | C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC#CCN3CCCC3.Cl |
| InChIKey | WXVNSCTWPIAHKS-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride (CAS 17781-99-6), with molecular formula C21H28ClNO2 and molecular weight 361.18 g/mol. IUPAC: 4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclohexane-1-carboxylate;hydrochloride.
Chemical Property Profile of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride
Property Insights of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride
The XLogP value of 3.9527 indicates that Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-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-(1-pyrrolidinyl)-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-(1-pyrrolidinyl)-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-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride?
The CAS number of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride is 17781-99-6.
What is the molecular formula of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride?
The molecular formula of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride is C21H28ClNO2.
What is the molecular weight of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride?
The molecular weight of Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride is 361.18 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride?
You can request a quote for Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-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-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.