Pyrrobutamine
TL;DR: Pyrrobutamine (CAS 91-82-7) is a chemical compound with molecular formula C20H22ClN and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine
Also Known As: Pyrrobutamine, pirrobutamine, Pyronil, Pyrrobutamine [BAN], PYRROBUTAMINE [MI]
| Molecular Formula | C20H22ClN |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.14407 |
| Heavy Atoms | 22 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 91-82-7 |
|---|---|
| SMILES | C1CCN(C1)CC=C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
| InChIKey | WDYYVNNRTDZKAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrobutamine (CAS 91-82-7), with molecular formula C20H22ClN and molecular weight 311.14 g/mol. IUPAC: 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine.
Chemical Property Profile of Pyrrobutamine
Property Insights of Pyrrobutamine
The XLogP value of 5.7 indicates that Pyrrobutamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Pyrrobutamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrobutamine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrobutamine?
The CAS number of Pyrrobutamine is 91-82-7.
What is the molecular formula of Pyrrobutamine?
The molecular formula of Pyrrobutamine is C20H22ClN.
What is the molecular weight of Pyrrobutamine?
The molecular weight of Pyrrobutamine is 311.14 g/mol.
Where can I buy Pyrrobutamine?
You can request a quote for Pyrrobutamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrobutamine?
Yes, KEHONG BIO provides custom synthesis services for Pyrrobutamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.