RefChem:251323
TL;DR: RefChem:251323 (CAS 496924-82-4) is a chemical compound with molecular formula C15H14IN3O4S and molecular weight 458.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-iodo-1-methylpyrazole-5-carbonyl)oxyphenyl]-1,3-thiazolidine-4-carboxylic acid
Also Known As: A2578/0109992, 2-[3-[[(3-Iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]oxy]phenyl]-4-thiazolidinecarboxylic acid, 2-(3-(((3-Iodo-1-methyl-1H-pyrazol-5-yl)carbonyl)oxy)phenyl)-4-thiazolidinecarboxylic acid, 2-[3-(3-iodo-1-methylpyrazol-5-ylcarbonyloxy)phenyl]-1,3-thiazolidine-4-carbox ylic acid, 2-[3-(5-iodo-2-methylpyrazole-3-carbonyl)oxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate
| Molecular Formula | C15H14IN3O4S |
|---|---|
| Molecular Weight | 458.97 g/mol |
| LogP | 2.0321 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.97498 |
| Heavy Atoms | 24 |
| Complexity | 794.77637 |
Chemical Identifiers
| CAS Number | 496924-82-4 |
|---|---|
| SMILES | CN1C(=CC(=N1)I)C(=O)OC2=CC=CC(=C2)C3NC(CS3)C(=O)O |
Product Overview
RefChem:251323 (CAS 496924-82-4), with molecular formula C15H14IN3O4S and molecular weight 458.97 g/mol. IUPAC: 2-[3-(3-iodo-1-methylpyrazole-5-carbonyl)oxyphenyl]-1,3-thiazolidine-4-carboxylic acid.
Chemical Property Profile of RefChem:251323
Property Insights of RefChem:251323
The XLogP value of 2.0321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:251323. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:251323. Following Lipinski's Rule of Five, RefChem:251323 has 2 hydrogen bond donor(s) and 6 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 RefChem:251323?
The CAS number of RefChem:251323 is 496924-82-4.
What is the molecular formula of RefChem:251323?
The molecular formula of RefChem:251323 is C15H14IN3O4S.
What is the molecular weight of RefChem:251323?
The molecular weight of RefChem:251323 is 458.97 g/mol.
Where can I buy RefChem:251323?
You can request a quote for RefChem:251323 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:251323?
Yes, KEHONG BIO provides custom synthesis services for RefChem:251323 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.