Histapyrrodine
TL;DR: Histapyrrodine (CAS 493-80-1) is a chemical compound with molecular formula C19H24N2 and molecular weight 280.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
Also Known As: Histapyrrodine, Histapirrodina, Histapyrrodinum, Domistan, Calcistin
| Molecular Formula | C19H24N2 |
|---|---|
| Molecular Weight | 280.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.19394 |
| Heavy Atoms | 21 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 493-80-1 |
|---|---|
| SMILES | C1CCN(C1)CCN(CC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | MXHODDGKGSGCDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Histapyrrodine (CAS 493-80-1), with molecular formula C19H24N2 and molecular weight 280.19 g/mol. IUPAC: N-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline.
Chemical Property Profile of Histapyrrodine
Property Insights of Histapyrrodine
The XLogP value of 4.1 indicates that Histapyrrodine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, Histapyrrodine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Histapyrrodine has 0 hydrogen bond donor(s) and 2 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 Histapyrrodine?
The CAS number of Histapyrrodine is 493-80-1.
What is the molecular formula of Histapyrrodine?
The molecular formula of Histapyrrodine is C19H24N2.
What is the molecular weight of Histapyrrodine?
The molecular weight of Histapyrrodine is 280.19 g/mol.
Where can I buy Histapyrrodine?
You can request a quote for Histapyrrodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histapyrrodine?
Yes, KEHONG BIO provides custom synthesis services for Histapyrrodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.