3-(2-thiazolylamino)-isobenzofuran-1(3H)-one
TL;DR: 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one (CAS 33125-65-4) is a chemical compound with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one
Also Known As: IFLab1_001186, IDI1_009053, 3-thiazol-2-ylamino-3H-isobenzofuran-1-one, 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one, 3-(thiazol-2-ylamino)isobenzofuran-1(3H)-one
| Molecular Formula | C11H8N2O2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.03065 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 33125-65-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)NC3=NC=CS3 |
| InChIKey | ZQWUKVVSXIBRAJ-UHFFFAOYSA-N |
Product Overview
3-(2-thiazolylamino)-isobenzofuran-1(3H)-one (CAS 33125-65-4), with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol. IUPAC: 3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one
Property Insights of 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-(2-thiazolylamino)-isobenzofuran-1(3H)-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 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one?
The CAS number of 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one is 33125-65-4.
What is the molecular formula of 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one?
The molecular formula of 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one is C11H8N2O2S.
What is the molecular weight of 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one?
The molecular weight of 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one is 232.03 g/mol.
Where can I buy 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one?
You can request a quote for 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-thiazolylamino)-isobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.