![2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione structure](/static/products/1039/1039751-94-4.webp)
2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione
TL;DR: 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione (CAS 1039751-94-4) is a chemical compound with molecular formula C15H11N3O4S and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethylidene)-10-thia-1,3,6-triazatricyclo[6.3.0.02,6]undec-2-ene-5,7-dione
Also Known As: 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione
| Molecular Formula | C15H11N3O4S |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 0.8695 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.04703 |
| Heavy Atoms | 23 |
| Complexity | 818.94006 |
Chemical Identifiers
| CAS Number | 1039751-94-4 |
|---|---|
| SMILES | C1C2C(=O)N3C(=O)C(=CC4=CC5=C(C=C4)OCO5)N=C3N2CS1 |
Product Overview
2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione (CAS 1039751-94-4), with molecular formula C15H11N3O4S and molecular weight 329.05 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylidene)-10-thia-1,3,6-triazatricyclo[6.3.0.02,6]undec-2-ene-5,7-dione.
Chemical Property Profile of 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione
Property Insights of 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione
The XLogP value of 0.8695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione has 0 hydrogen bond donor(s) and 7 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 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione?
The CAS number of 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione is 1039751-94-4.
What is the molecular formula of 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione?
The molecular formula of 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione is C15H11N3O4S.
What is the molecular weight of 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione?
The molecular weight of 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione is 329.05 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione?
You can request a quote for 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-ylmethylene)-5a,6-dihydro-5H-imidazo[2',1':2,3]imidazo[1,5-c][1,3]thiazole-3,5(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.