PE 104
TL;DR: PE 104 (CAS 636-20-4) is a chemical compound with molecular formula C18H22ClN2O7P and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate
Also Known As: Pe 104, 2-aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate, 2-(4-(4'-Chlorophenoxy)phenoxyacetylamino)ethylphosphorylethanolamine, 2-aminoethyl 2-({[4-(4-chlorophenoxy)phenoxy]acetyl}amino)ethyl hydrogen phosphate, PHOSPHORIC ACID 2-AMINOETHYL 2-[[4-(4-CHLOROPHENOXY)PHENOXY]ACETYLAMINO]ETHYL ESTER
| Molecular Formula | C18H22ClN2O7P |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 444.08533 |
| Heavy Atoms | 29 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 636-20-4 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)NCCOP(=O)(O)OCCN)OC2=CC=C(C=C2)Cl |
| InChIKey | KGTCPALFAMCJQQ-UHFFFAOYSA-N |
Product Overview
PE 104 (CAS 636-20-4), with molecular formula C18H22ClN2O7P and molecular weight 444.09 g/mol. IUPAC: 2-aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate.
Chemical Property Profile of PE 104
Property Insights of PE 104
The XLogP value of -1.1 indicates that PE 104 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PE 104. Following Lipinski's Rule of Five, PE 104 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PE 104?
The CAS number of PE 104 is 636-20-4.
What is the molecular formula of PE 104?
The molecular formula of PE 104 is C18H22ClN2O7P.
What is the molecular weight of PE 104?
The molecular weight of PE 104 is 444.09 g/mol.
Where can I buy PE 104?
You can request a quote for PE 104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PE 104?
Yes, KEHONG BIO provides custom synthesis services for PE 104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.