C14H11NO5S2
TL;DR: C14H11NO5S2 (CAS 314746-37-7) is a chemical compound with molecular formula C14H11NO5S2 and molecular weight 337.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00871957, 2-(5-{[4-(methoxycarbonyl)phenyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-y l)acetic acid, (Z)-2-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
| Molecular Formula | C14H11NO5S2 |
|---|---|
| Molecular Weight | 337.01 g/mol |
| LogP | 1.759 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.00787 |
| Heavy Atoms | 22 |
| Complexity | 680.9785 |
Chemical Identifiers
| CAS Number | 314746-37-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
C14H11NO5S2 (CAS 314746-37-7), with molecular formula C14H11NO5S2 and molecular weight 337.01 g/mol. IUPAC: 2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of C14H11NO5S2
Property Insights of C14H11NO5S2
The XLogP value of 1.759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H11NO5S2. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H11NO5S2. Following Lipinski's Rule of Five, C14H11NO5S2 has 1 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 C14H11NO5S2?
The CAS number of C14H11NO5S2 is 314746-37-7.
What is the molecular formula of C14H11NO5S2?
The molecular formula of C14H11NO5S2 is C14H11NO5S2.
What is the molecular weight of C14H11NO5S2?
The molecular weight of C14H11NO5S2 is 337.01 g/mol.
Where can I buy C14H11NO5S2?
You can request a quote for C14H11NO5S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H11NO5S2?
Yes, KEHONG BIO provides custom synthesis services for C14H11NO5S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.