C12H9NO5S
TL;DR: C12H9NO5S (CAS 848998-57-2) is a chemical compound with molecular formula C12H9NO5S and molecular weight 279.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 2-[5-((2E)-3-(2-furyl)prop-2-enylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid, 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-2,4-dioxothiazolidin-3-yl)acetic acid, 2-[5-[3-(2-furyl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic Acid, 2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C12H9NO5S |
|---|---|
| Molecular Weight | 279.02 g/mol |
| LogP | 1.9567 |
| Topological Polar Surface Area | 87.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.02014 |
| Heavy Atoms | 19 |
| Complexity | 572.95 |
Chemical Identifiers
| CAS Number | 848998-57-2 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/C=C\2/C(=O)N(C(=O)S2)CC(=O)O |
Product Overview
C12H9NO5S (CAS 848998-57-2), with molecular formula C12H9NO5S and molecular weight 279.02 g/mol. IUPAC: 2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of C12H9NO5S
Property Insights of C12H9NO5S
The XLogP value of 1.9567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H9NO5S. The TPSA of 87.82 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H9NO5S. Following Lipinski's Rule of Five, C12H9NO5S 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 C12H9NO5S?
The CAS number of C12H9NO5S is 848998-57-2.
What is the molecular formula of C12H9NO5S?
The molecular formula of C12H9NO5S is C12H9NO5S.
What is the molecular weight of C12H9NO5S?
The molecular weight of C12H9NO5S is 279.02 g/mol.
Where can I buy C12H9NO5S?
You can request a quote for C12H9NO5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H9NO5S?
Yes, KEHONG BIO provides custom synthesis services for C12H9NO5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.