Neotropine
TL;DR: Neotropine (CAS 53230-07-2) is a chemical compound with molecular formula C17H25NO2S and molecular weight 307.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-thiophen-2-ylacetate
Also Known As: Neotropine, NEOTROPINE HYDROCHLORIDE, (2-Cyclopenten-1-yl)-2-thienylacetic acid 2-diethylaminoethyl ester, 2-Thiopheneacetic acid, alpha-2-cyclopenten-1-yl-, 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-thiophen-2-ylacetate
| Molecular Formula | C17H25NO2S |
|---|---|
| Molecular Weight | 307.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 307.1606 |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 53230-07-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C1CCC=C1)C2=CC=CS2 |
| InChIKey | PAQHBGYZMGCRMG-UHFFFAOYSA-N |
Product Overview
Neotropine (CAS 53230-07-2), with molecular formula C17H25NO2S and molecular weight 307.16 g/mol. IUPAC: 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-thiophen-2-ylacetate.
Chemical Property Profile of Neotropine
Property Insights of Neotropine
The XLogP value of 3.7 indicates that Neotropine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, Neotropine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neotropine has 0 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 Neotropine?
The CAS number of Neotropine is 53230-07-2.
What is the molecular formula of Neotropine?
The molecular formula of Neotropine is C17H25NO2S.
What is the molecular weight of Neotropine?
The molecular weight of Neotropine is 307.16 g/mol.
Where can I buy Neotropine?
You can request a quote for Neotropine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neotropine?
Yes, KEHONG BIO provides custom synthesis services for Neotropine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.