Pyrrobutamine
TL;DR: Pyrrobutamine (CAS 91-82-7) is a chemical compound with molecular formula C20H22ClN and molecular weight 311.14407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine
Also Known As: Pyrrobutamine, pirrobutamine, Pyronil, Pyrrobutamine [BAN], PYRROBUTAMINE [MI]
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H22ClN |
| Molecular Weight | 311.14407 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.14407 Da |
| Heavy Atoms | 22 |
| Complexity | 345.0 |
| SMILES | C1CCN(C1)CC=C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
| InChIKey | WDYYVNNRTDZKAZ-UHFFFAOYSA-N |
Product Description
Applications: Pyrrobutamine is used in pharmaceutical synthesis routes and API production, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Pyrrobutamine is a pharmaceutical intermediate identified by CAS number 91-82-7 and the molecular formula C20H22ClN and a molecular weight of 311.14 g/mol. Synonyms include Pyrrobutamine and pirrobutamine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 311.14407 g/mol.
What are the applications of Pyrrobutamine?
Pyrrobutamine is used in pharmaceutical synthesis routes and API production, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton...
Where can I buy Pyrrobutamine?
You can request a quote for Pyrrobutamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrobutamine?
Yes, CoreyChem provides custom synthesis services for Pyrrobutamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.