ML 145
TL;DR: ML 145 (CAS 1164500-72-4) is a chemical compound with molecular formula C24H22N2O5S2 and molecular weight 482.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
Also Known As: 2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid, 2-hydroxy-4-({4-[5-(2-methyl-3-phenyl-2-propen-1-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid, 2-Hydroxy-4-(4-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)benzoic acid, 2-Hydroxy-4-[4-(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid, 2-hydroxy-4-[[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid
| Molecular Formula | C24H22N2O5S2 |
|---|---|
| Molecular Weight | 482.10 g/mol |
| LogP | 4.6568 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.09702 |
| Heavy Atoms | 33 |
| Complexity | 1158.6995 |
Chemical Identifiers
| CAS Number | 1164500-72-4 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)C(=O)O)O |
Product Overview
ML 145 (CAS 1164500-72-4), with molecular formula C24H22N2O5S2 and molecular weight 482.10 g/mol. IUPAC: 2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid.
Chemical Property Profile of ML 145
Property Insights of ML 145
The XLogP value of 4.6568 indicates that ML 145 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ML 145. Following Lipinski's Rule of Five, ML 145 has 3 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 ML 145?
The CAS number of ML 145 is 1164500-72-4.
What is the molecular formula of ML 145?
The molecular formula of ML 145 is C24H22N2O5S2.
What is the molecular weight of ML 145?
The molecular weight of ML 145 is 482.10 g/mol.
Where can I buy ML 145?
You can request a quote for ML 145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML 145?
Yes, KEHONG BIO provides custom synthesis services for ML 145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.