![5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione structure](/static/products/866/866136-94-9.png)
5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione
TL;DR: 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione (CAS 866136-94-9) is a chemical compound with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yliminomethyl)-4-hydroxy-3-methyl-1,3-thiazol-2-one
Also Known As: 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione, 8T-0017, 5-(1,3-benzodioxol-5-yliminomethyl)-4-hydroxy-3-methyl-1,3-thiazol-2-one, (5E)-5-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-3-methyl-1,3-thiazolidine-2,4-dione, (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
| Molecular Formula | C12H10N2O4S |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 1.6317 |
| Topological Polar Surface Area | 73.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.03613 |
| Heavy Atoms | 19 |
| Complexity | 717.0048 |
Chemical Identifiers
| CAS Number | 866136-94-9 |
|---|---|
| SMILES | CN1C(=C(SC1=O)C=NC2=CC3=C(C=C2)OCO3)O |
Product Overview
5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione (CAS 866136-94-9), with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yliminomethyl)-4-hydroxy-3-methyl-1,3-thiazol-2-one.
Chemical Property Profile of 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione
Property Insights of 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione
The XLogP value of 1.6317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione. The TPSA of 73.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione. Following Lipinski's Rule of Five, 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione 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 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione?
The CAS number of 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione is 866136-94-9.
What is the molecular formula of 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione?
The molecular formula of 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione is C12H10N2O4S.
What is the molecular weight of 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione?
The molecular weight of 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione is 278.04 g/mol.
Where can I buy 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione?
You can request a quote for 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(E)-(1,3-benzodioxol-5-ylamino)methylidene]-3-methyl-1,3-thiazolane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.