5-carbamoyl-1H-imidazol-4-yl-piperonylate
TL;DR: 5-carbamoyl-1H-imidazol-4-yl-piperonylate (CAS 68039-08-7) is a chemical compound with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-carbamoyl-1H-imidazol-4-yl) 1,3-benzodioxole-5-carboxylate
Also Known As: KST-1B7366, 5-Carbamoyl-1H-imidazol-4-yl-piperonylate, SL 1250, 5-carbamoyl-1h-imidazol-4-yl piperonylate, 1,3-Benzodioxole-5-carboxylic acid, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
| Molecular Formula | C12H9N3O5 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.05423 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 68039-08-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C(NC=N3)C(=O)N |
| InChIKey | DUVZIPJBSDUYLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-carbamoyl-1H-imidazol-4-yl-piperonylate (CAS 68039-08-7), with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol. IUPAC: (5-carbamoyl-1H-imidazol-4-yl) 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 5-carbamoyl-1H-imidazol-4-yl-piperonylate
Property Insights of 5-carbamoyl-1H-imidazol-4-yl-piperonylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-carbamoyl-1H-imidazol-4-yl-piperonylate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-carbamoyl-1H-imidazol-4-yl-piperonylate. Following Lipinski's Rule of Five, 5-carbamoyl-1H-imidazol-4-yl-piperonylate has 2 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-carbamoyl-1H-imidazol-4-yl-piperonylate?
The CAS number of 5-carbamoyl-1H-imidazol-4-yl-piperonylate is 68039-08-7.
What is the molecular formula of 5-carbamoyl-1H-imidazol-4-yl-piperonylate?
The molecular formula of 5-carbamoyl-1H-imidazol-4-yl-piperonylate is C12H9N3O5.
What is the molecular weight of 5-carbamoyl-1H-imidazol-4-yl-piperonylate?
The molecular weight of 5-carbamoyl-1H-imidazol-4-yl-piperonylate is 275.05 g/mol.
Where can I buy 5-carbamoyl-1H-imidazol-4-yl-piperonylate?
You can request a quote for 5-carbamoyl-1H-imidazol-4-yl-piperonylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-carbamoyl-1H-imidazol-4-yl-piperonylate?
Yes, KEHONG BIO provides custom synthesis services for 5-carbamoyl-1H-imidazol-4-yl-piperonylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.