磷酸吡咯布他明
TL;DR: 磷酸吡咯布他明 (CAS 135-31-9) is a chemical compound with molecular formula C20H28ClNO8P2 and molecular weight 507.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸吡咯布他明
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)
| Molecular Formula | C20H28ClNO8P2 |
|---|---|
| Molecular Weight | 507.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.09787 |
| Heavy Atoms | 32 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 135-31-9 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸吡咯布他明 (CAS 135-31-9), with molecular formula C20H28ClNO8P2 and molecular weight 507.10 g/mol. IUPAC: 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine;phosphoric acid.
Chemical Property Profile of 磷酸吡咯布他明
Property Insights of 磷酸吡咯布他明
The XLogP value of 3.2 indicates that 磷酸吡咯布他明 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 磷酸吡咯布他明 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 磷酸吡咯布他明 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 磷酸吡咯布他明?
The CAS number of 磷酸吡咯布他明 is 135-31-9.
What is the molecular formula of 磷酸吡咯布他明?
The molecular formula of 磷酸吡咯布他明 is C20H28ClNO8P2.
What is the molecular weight of 磷酸吡咯布他明?
The molecular weight of 磷酸吡咯布他明 is 507.10 g/mol.
Where can I buy 磷酸吡咯布他明?
You can request a quote for 磷酸吡咯布他明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸吡咯布他明?
Yes, KEHONG BIO provides custom synthesis services for 磷酸吡咯布他明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.