C14H12BrNO4S2
TL;DR: C14H12BrNO4S2 (CAS 305375-29-5) is a chemical compound with molecular formula C14H12BrNO4S2 and molecular weight 400.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: BAS 01292936, chemical diversity library compound 11, BIM-0039273.P001, 3-{5-[(3-bromo-4-methoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl} propanoic acid, 3-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C14H12BrNO4S2 |
|---|---|
| Molecular Weight | 400.94 g/mol |
| LogP | 3.1336 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.93912 |
| Heavy Atoms | 22 |
| Complexity | 674.8067 |
Chemical Identifiers
| CAS Number | 305375-29-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O)Br |
Product Overview
C14H12BrNO4S2 (CAS 305375-29-5), with molecular formula C14H12BrNO4S2 and molecular weight 400.94 g/mol. IUPAC: 3-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of C14H12BrNO4S2
Property Insights of C14H12BrNO4S2
The XLogP value of 3.1336 indicates that C14H12BrNO4S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H12BrNO4S2. Following Lipinski's Rule of Five, C14H12BrNO4S2 has 1 hydrogen bond donor(s) and 5 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 C14H12BrNO4S2?
The CAS number of C14H12BrNO4S2 is 305375-29-5.
What is the molecular formula of C14H12BrNO4S2?
The molecular formula of C14H12BrNO4S2 is C14H12BrNO4S2.
What is the molecular weight of C14H12BrNO4S2?
The molecular weight of C14H12BrNO4S2 is 400.94 g/mol.
Where can I buy C14H12BrNO4S2?
You can request a quote for C14H12BrNO4S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H12BrNO4S2?
Yes, KEHONG BIO provides custom synthesis services for C14H12BrNO4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.