RefChem:335949
TL;DR: RefChem:335949 (CAS 17781-95-2) is a chemical compound with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)but-2-ynyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
Also Known As: Cyclopentanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-2-butynyl ester, hydrochloride, 1-Phenylcyclopentanecarboxylic acid 4-(diethylamino)-2-butynyl ester hydrochloride, 4-(diethylamino)but-2-ynyl 1-phenylcyclopentane-1-carboxylate hydrochloride, 4-(Diethylamino)but-2-yn-1-yl 1-phenylcyclopentane-1-carboxylate--hydrogen chloride (1/1), RefChem:335949
| Molecular Formula | C20H28ClNO2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 3.8086 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.18085 |
| Heavy Atoms | 24 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 17781-95-2 |
|---|---|
| SMILES | CCN(CC)CC#CCOC(=O)C1(CCCC1)C2=CC=CC=C2.Cl |
| InChIKey | ZWATXJNMDZYTBD-UHFFFAOYSA-N |
Product Overview
RefChem:335949 (CAS 17781-95-2), with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol. IUPAC: 4-(diethylamino)but-2-ynyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:335949
Property Insights of RefChem:335949
The XLogP value of 3.8086 indicates that RefChem:335949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:335949 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335949 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 RefChem:335949?
The CAS number of RefChem:335949 is 17781-95-2.
What is the molecular formula of RefChem:335949?
The molecular formula of RefChem:335949 is C20H28ClNO2.
What is the molecular weight of RefChem:335949?
The molecular weight of RefChem:335949 is 349.18 g/mol.
Where can I buy RefChem:335949?
You can request a quote for RefChem:335949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335949?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.