PPG 1013
TL;DR: PPG 1013 (CAS 87714-68-9) is a chemical compound with molecular formula C18H14ClF3N2O6 and molecular weight 446.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethylideneamino]oxyacetate
Also Known As: PPG 1013, Acetic acid, (((1-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)ethylidene)amino)oxy)-, methyl ester, METHYL2-[1-[5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROPHENYL]ETHYLIDENEAMINO]OXYACETATE, methyl {[(1-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}ethylidene)amino]oxy}acetate, Methyl 2-[[[1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethylidene]amino]oxy]acetate
| Molecular Formula | C18H14ClF3N2O6 |
|---|---|
| Molecular Weight | 446.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.04926 |
| Heavy Atoms | 30 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 87714-68-9 |
|---|---|
| SMILES | CC(=NOCC(=O)OC)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | UIFNWVTVKRWICH-UHFFFAOYSA-N |
Product Overview
PPG 1013 (CAS 87714-68-9), with molecular formula C18H14ClF3N2O6 and molecular weight 446.05 g/mol. IUPAC: methyl 2-[1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethylideneamino]oxyacetate.
Chemical Property Profile of PPG 1013
Property Insights of PPG 1013
The XLogP value of 4.6 indicates that PPG 1013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PPG 1013. Following Lipinski's Rule of Five, PPG 1013 has 0 hydrogen bond donor(s) and 10 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 PPG 1013?
The CAS number of PPG 1013 is 87714-68-9.
What is the molecular formula of PPG 1013?
The molecular formula of PPG 1013 is C18H14ClF3N2O6.
What is the molecular weight of PPG 1013?
The molecular weight of PPG 1013 is 446.05 g/mol.
Where can I buy PPG 1013?
You can request a quote for PPG 1013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PPG 1013?
Yes, KEHONG BIO provides custom synthesis services for PPG 1013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.