Pyrrobutamine Phosphate
TL;DR: Pyrrobutamine Phosphate (CAS 135-31-9) is a chemical compound with molecular formula C20H28ClNO8P2 and molecular weight 507.09787 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;phosphoric acid
Also Known As: Pyronil, PYRROBUTAMINE PHOSPHATE, Pyrrobutamine diphosphate, Pyrrobutamine phosphate [USP], Pyrrobutamine phosphate (USP)
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H28ClNO8P2 |
| Molecular Weight | 507.09787 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.09787 Da |
| Heavy Atoms | 32 |
| Complexity | 395.0 |
| SMILES | C1CCN(C1)CC=C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3.OP(=O)(O)O.OP(=O)(O)O |
| InChIKey | UAAAHOLLLRWGGL-UHFFFAOYSA-N |
Product Description
Applications: Pyrrobutamine Phosphate is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. 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).
A pharmaceutical intermediate supplied by CoreyChem, Pyrrobutamine Phosphate (CAS 135-31-9) has the molecular formula C20H28ClNO8P2 and a molecular weight of 507.1 g/mol. Synonyms include Pyronil and PYRROBUTAMINE PHOSPHATE.
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 Phosphate
Property Insights of Pyrrobutamine Phosphate
The XLogP value of 3.2 indicates that Pyrrobutamine Phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting Pyrrobutamine Phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrrobutamine Phosphate has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pyrrobutamine Phosphate?
The CAS number of Pyrrobutamine Phosphate is 135-31-9.
What is the molecular formula of Pyrrobutamine Phosphate?
The molecular formula of Pyrrobutamine Phosphate is C20H28ClNO8P2.
What is the molecular weight of Pyrrobutamine Phosphate?
The molecular weight of Pyrrobutamine Phosphate is 507.09787 g/mol.
What are the applications of Pyrrobutamine Phosphate?
Pyrrobutamine Phosphate is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy Pyrrobutamine Phosphate?
You can request a quote for Pyrrobutamine Phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrobutamine Phosphate?
Yes, CoreyChem provides custom synthesis services for Pyrrobutamine Phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.