Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)-
TL;DR: Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)- (CAS 29122-58-5) is a chemical compound with molecular formula C18H28ClNO and molecular weight 309.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(5-chloro-2-ethoxyphenyl)-3-methylpentyl]pyrrolidine
Also Known As: 1-(beta-sec-Butyl-5-chloro-2-ethoxyphenethyl)pyrrolidine, 1-[2-(5-chloro-2-ethoxyphenyl)-3-methylpentyl]pyrrolidine, Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)-, 1-[2-(5-chloro-2-ethoxyphenyl)-3-methyl-pentyl]pyrrolidine, Pyrrolidine, 1-[2-(5-chloro-2-ethoxyphenyl)-3-methylpentyl]-
| Molecular Formula | C18H28ClNO |
|---|---|
| Molecular Weight | 309.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.18594 |
| Heavy Atoms | 21 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 29122-58-5 |
|---|---|
| SMILES | CCC(C)C(CN1CCCC1)C2=C(C=CC(=C2)Cl)OCC |
| InChIKey | KFCXWGVCTPCYRF-UHFFFAOYSA-N |
Product Overview
Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)- (CAS 29122-58-5), with molecular formula C18H28ClNO and molecular weight 309.19 g/mol. IUPAC: 1-[2-(5-chloro-2-ethoxyphenyl)-3-methylpentyl]pyrrolidine.
Chemical Property Profile of Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)-
Property Insights of Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)-
The XLogP value of 5.3 indicates that Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)-?
The CAS number of Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)- is 29122-58-5.
What is the molecular formula of Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)-?
The molecular formula of Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)- is C18H28ClNO.
What is the molecular weight of Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)-?
The molecular weight of Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)- is 309.19 g/mol.
Where can I buy Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)-?
You can request a quote for Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(beta-(sec-butyl)-5-chloro-2-ethoxyphenethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.