(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one
TL;DR: (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one (CAS 52059-59-3) is a chemical compound with molecular formula C8H5NO3S and molecular weight 195.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxyphenyl)-1,3,4-oxathiazol-2-one
Also Known As: 5-(2-Hydroxyphenyl)-1,3,4-oxathiazol-2-one, (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one, 5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one
| Molecular Formula | C8H5NO3S |
|---|---|
| Molecular Weight | 195.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.99901 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 52059-59-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NSC(=O)O2)O |
| InChIKey | YFHJVYJUOOGEPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one (CAS 52059-59-3), with molecular formula C8H5NO3S and molecular weight 195.00 g/mol. IUPAC: 5-(2-hydroxyphenyl)-1,3,4-oxathiazol-2-one.
Chemical Property Profile of (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one
Property Insights of (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one. Following Lipinski's Rule of Five, (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one 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 (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one?
The CAS number of (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one is 52059-59-3.
What is the molecular formula of (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one?
The molecular formula of (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one is C8H5NO3S.
What is the molecular weight of (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one?
The molecular weight of (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one is 195.00 g/mol.
Where can I buy (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one?
You can request a quote for (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.