![Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate structure](/static/products/4167/4167-70-8.webp)
Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate
TL;DR: Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate (CAS 4167-70-8) is a chemical compound with molecular formula C14H9N5O2 and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate
Also Known As: METHYL 8,8,9,9-TETRACYANO-2-AZABICYCLO[3.2.2]NONA-3,6-DIENE-2-CARBOXYLATE, methyl 6,6,7,7-tetracyano-4-azabicyclo[3.2.2]nona-2,8-diene-, methyl 6,6,7,7-tetracyano-4-azabicyclo[3.2.2]nona-2,8-diene-4-carboxylate
| Molecular Formula | C14H9N5O2 |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.07562 |
| Heavy Atoms | 21 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 4167-70-8 |
|---|---|
| SMILES | COC(=O)N1C=CC2C=CC1C(C2(C#N)C#N)(C#N)C#N |
| InChIKey | DXXCIEQGXVRDTN-UHFFFAOYSA-N |
Product Overview
Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate (CAS 4167-70-8), with molecular formula C14H9N5O2 and molecular weight 279.08 g/mol. IUPAC: methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate.
Chemical Property Profile of Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate
Property Insights of Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate
The XLogP value of -0.2 indicates that Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate has 0 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 Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate?
The CAS number of Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate is 4167-70-8.
What is the molecular formula of Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate?
The molecular formula of Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate is C14H9N5O2.
What is the molecular weight of Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate?
The molecular weight of Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate is 279.08 g/mol.
Where can I buy Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate?
You can request a quote for Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 8,8,9,9-tetracyano-2-azabicyclo[3.2.2]nona-3,6-diene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.