HOE 70542
TL;DR: HOE 70542 (CAS 126198-65-0) is a chemical compound with molecular formula C28H20Cl6N4O7 and molecular weight 733.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid;ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
Also Known As: HOE 70542, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid; ethyl 2-[4-(6-chlorobenzooxazol-2-yl)oxyphenoxy]propanoate, 1-(2,4-Dichlorophenyl)-5-(trichloromethyl)-1H-1,2,4-triazole-3-carboxylic acid - ethyl 2-(4-((6-chloro-1,3-benzoxazol-2-yl)oxy)phenoxy)propanoate (1:1), 1H-1,2,4-Triazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, mixt. with ethyl 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]propanoate (9CI), 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid; ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
| Molecular Formula | C28H20Cl6N4O7 |
|---|---|
| Molecular Weight | 733.95 g/mol |
| LogP | 8.7029 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 733.9463 |
| Heavy Atoms | 45 |
| Complexity | 824.0 |
Chemical Identifiers
| CAS Number | 126198-65-0 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl.C1=CC(=C(C=C1Cl)Cl)N2C(=NC(=N2)C(=O)O)C(Cl)(Cl)Cl |
| InChIKey | ZGWQTZKIEJCSPH-UHFFFAOYSA-N |
Product Overview
HOE 70542 (CAS 126198-65-0), with molecular formula C28H20Cl6N4O7 and molecular weight 733.95 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid;ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate.
Chemical Property Profile of HOE 70542
Property Insights of HOE 70542
The XLogP value of 8.7029 indicates that HOE 70542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for HOE 70542. Following Lipinski's Rule of Five, HOE 70542 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of HOE 70542?
The CAS number of HOE 70542 is 126198-65-0.
What is the molecular formula of HOE 70542?
The molecular formula of HOE 70542 is C28H20Cl6N4O7.
What is the molecular weight of HOE 70542?
The molecular weight of HOE 70542 is 733.95 g/mol.
Where can I buy HOE 70542?
You can request a quote for HOE 70542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HOE 70542?
Yes, KEHONG BIO provides custom synthesis services for HOE 70542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.