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Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate
TL;DR: Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate (CAS 6639-48-1) is a chemical compound with molecular formula C8H12N2O4 and molecular weight 200.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
Also Known As: KF 392, ammonium 3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate, 7-Oxabicyclo(2.2.1)hept-5-ene-3-carbamoyl-2-carboxylate, ammonium salt, AZANIUM 5-CARBAMOYL-7-OXABICYCLO[2.2.1]HEPT-2-ENE-6-CARBOXYLATE, azanium 2-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylate
| Molecular Formula | C8H12N2O4 |
|---|---|
| Molecular Weight | 200.08 g/mol |
| LogP | -1.8326 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.07971 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 6639-48-1 |
|---|---|
| SMILES | C1=CC2C(C(C1O2)C(=O)N)C(=O)[O-].[NH4+] |
| InChIKey | UTBRKYJEXZKRGY-UHFFFAOYSA-N |
Product Overview
Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate (CAS 6639-48-1), with molecular formula C8H12N2O4 and molecular weight 200.08 g/mol. IUPAC: azanium 3-carbamoyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate.
Chemical Property Profile of Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate
Property Insights of Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate
The XLogP value of -1.8326 indicates that Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate. Following Lipinski's Rule of Five, Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate has 2 hydrogen bond donor(s) and 4 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 Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate?
The CAS number of Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate is 6639-48-1.
What is the molecular formula of Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate?
The molecular formula of Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate is C8H12N2O4.
What is the molecular weight of Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate?
The molecular weight of Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate is 200.08 g/mol.
Where can I buy Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate?
You can request a quote for Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Azanium 5-carbamoyl-7-oxabicyclo[2.2.1]hept-2-ene-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.