RefChem:272941
TL;DR: RefChem:272941 (CAS 24075-57-8) is a chemical compound with molecular formula C12H13N3O3S4 and molecular weight 374.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-methyl-5-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
Also Known As: 3-[[5-[3-Allyl-4-oxo-2-thioxothiazolidin-5-ylidene]-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl]thio]propionic acid, 3-[[4,5-Dihydro-4-methyl-5-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-1,3,4-thiadiazol-2-yl]thio]propanoic acid, 3-((4,5-Dihydro-4-methyl-5-(4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene)-1,3,4-thiadiazol-2-yl)thio)propanoic acid, 3-((5-(3-Allyl-4-oxo-2-thioxothiazolidin-5-ylidene)-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl)thio)propionic acid, 3-{[5-(3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl]thio}propionic acid
| Molecular Formula | C12H13N3O3S4 |
|---|---|
| Molecular Weight | 374.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.98398 |
| Heavy Atoms | 22 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 24075-57-8 |
|---|---|
| SMILES | CN1C(=C2C(=O)N(C(=S)S2)CC=C)SC(=N1)SCCC(=O)O |
| InChIKey | BWPACKUSUFELQM-UHFFFAOYSA-N |
Product Overview
RefChem:272941 (CAS 24075-57-8), with molecular formula C12H13N3O3S4 and molecular weight 374.98 g/mol. IUPAC: 3-[[4-methyl-5-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid.
Chemical Property Profile of RefChem:272941
Property Insights of RefChem:272941
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:272941. The TPSA of 181.0 Ų indicates high polarity, suggesting RefChem:272941 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:272941 has 1 hydrogen bond donor(s) and 9 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:272941?
The CAS number of RefChem:272941 is 24075-57-8.
What is the molecular formula of RefChem:272941?
The molecular formula of RefChem:272941 is C12H13N3O3S4.
What is the molecular weight of RefChem:272941?
The molecular weight of RefChem:272941 is 374.98 g/mol.
Where can I buy RefChem:272941?
You can request a quote for RefChem:272941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272941?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.