KRH-594 free acid
TL;DR: KRH-594 free acid (CAS 167006-13-5) is a chemical compound with molecular formula C25H23N7O3S and molecular weight 501.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3,4-thiadiazol-2-ylidene]carbamoyl]cyclopentene-1-carboxylic acid
Also Known As: KRH-594 free acid, J1.614.585H, 2-[(5-ethyl-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)carbamoyl]cyclopent-1-ene-1-carboxylic acid, 2-[[5-ethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]methyl-1,3,4-thiadiazolin-2-yliden]-aminocarbonyl]-1-cyclopentenecarboxylic acid, 2-[[5-ethyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl-1,3,4-thiadiazolin-2-yliden]aminocarbonyl]-1-cyclopentenecarboxylic acid
Technical Specifications
| Molecular Formula | C25H23N7O3S |
| Molecular Weight | 501.1583 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.1583 Da |
| Heavy Atoms | 36 |
| Complexity | 944.0 |
| SMILES | CCC1=NN(C(=NC(=O)C2=C(CCC2)C(=O)O)S1)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5 |
| InChIKey | UFZKNCXXIFQTNB-UHFFFAOYSA-N |
Chemical Property Profile of KRH-594 free acid
Property Insights of KRH-594 free acid
The XLogP value of 4.0 indicates that KRH-594 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting KRH-594 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KRH-594 free acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of KRH-594 free acid?
The CAS number of KRH-594 free acid is 167006-13-5.
What is the molecular formula of KRH-594 free acid?
The molecular formula of KRH-594 free acid is C25H23N7O3S.
What is the molecular weight of KRH-594 free acid?
The molecular weight of KRH-594 free acid is 501.1583 g/mol.
Where can I buy KRH-594 free acid?
You can request a quote for KRH-594 free acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for KRH-594 free acid?
Yes, CoreyChem provides custom synthesis services for KRH-594 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.