Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride
TL;DR: Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride (CAS 17781-98-5) is a chemical compound with molecular formula C20H26ClNO3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
Also Known As: Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride, 1-Phenylcyclopentanecarboxylic acid 4-morpholino-2-butynyl ester hydrochloride, 4-morpholin-4-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate hydrochloride, 4-(Morpholin-4-yl)but-2-yn-1-yl 1-phenylcyclopentane-1-carboxylate--hydrogen chloride (1/1), RefChem:335952
| Molecular Formula | C20H26ClNO3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 2.799 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.16013 |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 17781-98-5 |
|---|---|
| SMILES | C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC#CCN3CCOCC3.Cl |
| InChIKey | HKZXTRWQVMOZFF-UHFFFAOYSA-N |
Product Overview
Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride (CAS 17781-98-5), with molecular formula C20H26ClNO3 and molecular weight 363.16 g/mol. IUPAC: 4-morpholin-4-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.
Chemical Property Profile of Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride
Property Insights of Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride
The XLogP value of 2.799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride. With a topological polar surface area (TPSA) of 38.8 Ų, Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride has 1 hydrogen bond donor(s) and 4 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 Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride?
The CAS number of Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride is 17781-98-5.
What is the molecular formula of Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride?
The molecular formula of Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride is C20H26ClNO3.
What is the molecular weight of Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride?
The molecular weight of Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride is 363.16 g/mol.
Where can I buy Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride?
You can request a quote for Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-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 Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.