![But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile structure](/static/products/845/84509-14-8.png)
But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile
TL;DR: But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile (CAS 84509-14-8) is a chemical compound with molecular formula C16H16N2O6 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile
Also Known As: 4-(6,8-Dioxa-3-azabicyclo(3.2.1)oct-5-yl)benzonitrile (Z)-2-butenedioate (1:1), Benzonitrile, 4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C16H16N2O6 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 0.44148 |
| Topological Polar Surface Area | 128.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.10083 |
| Heavy Atoms | 24 |
| Complexity | 658.8032 |
Chemical Identifiers
| CAS Number | 84509-14-8 |
|---|---|
| SMILES | C1C2COC(O2)(CN1)C3=CC=C(C=C3)C#N.C(=CC(=O)O)C(=O)O |
Product Overview
But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile (CAS 84509-14-8), with molecular formula C16H16N2O6 and molecular weight 332.10 g/mol. IUPAC: but-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile.
Chemical Property Profile of But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile
Property Insights of But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile
The XLogP value of 0.44148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile. The TPSA of 128.88 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile. Following Lipinski's Rule of Five, But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile has 3 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 But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile?
The CAS number of But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile is 84509-14-8.
What is the molecular formula of But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile?
The molecular formula of But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile is C16H16N2O6.
What is the molecular weight of But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile?
The molecular weight of But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile is 332.10 g/mol.
Where can I buy But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile?
You can request a quote for But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.