PF 1022A
TL;DR: PF 1022A (CAS 15487-89-5) is a chemical compound with molecular formula C52H76N4O12 and molecular weight 948.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6R,9S,12R,15S,18R,21S,24R)-6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
Also Known As: Emodepside Impurity 1, EC 444-350-6, (3S,6R,9S,12R,15S,18R,21S,24R)-6,18-Dibenzyl-3,9,15,21-tetraisobutyl-4,10,12,16,22,24-hexamethyl-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclo-tetracosane-2,5,8,11,14,17,20,23-octaone, (3s,6r,9s,12r,15s,18r,21s,24r)-6,18-dibenzyl-3,9,15,21-tetraisobutyl-4,10,12,16,22,24-hexamethyl-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosane-2,5,8,11,14,17,20,23-octone, (3S,6R,9S,12R,15S,18R,21S,24R)-6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
| Molecular Formula | C52H76N4O12 |
|---|---|
| Molecular Weight | 948.55 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 948.54596 |
| Heavy Atoms | 68 |
| Complexity | 1580.0 |
Chemical Identifiers
| CAS Number | 15487-89-5 |
|---|---|
| SMILES | C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)CC2=CC=CC=C2)CC(C)C)C)C)CC(C)C)C)CC3=CC=CC=C3)CC(C)C)C |
| InChIKey | YJNUXGPXJFAUQJ-LYWANRAQSA-N |
Product Overview
PF 1022A (CAS 15487-89-5), with molecular formula C52H76N4O12 and molecular weight 948.55 g/mol. IUPAC: (3S,6R,9S,12R,15S,18R,21S,24R)-6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone.
Chemical Property Profile of PF 1022A
Property Insights of PF 1022A
The XLogP value of 9.5 indicates that PF 1022A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting PF 1022A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PF 1022A has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PF 1022A?
The CAS number of PF 1022A is 15487-89-5.
What is the molecular formula of PF 1022A?
The molecular formula of PF 1022A is C52H76N4O12.
What is the molecular weight of PF 1022A?
The molecular weight of PF 1022A is 948.55 g/mol.
Where can I buy PF 1022A?
You can request a quote for PF 1022A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PF 1022A?
Yes, KEHONG BIO provides custom synthesis services for PF 1022A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.