Avicine pseudocyanide
TL;DR: Avicine pseudocyanide (CAS 94656-26-5) is a chemical compound with molecular formula C21H14N2O4 and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene-11-carbonitrile
Also Known As: Avicine pseudocyanide, 1,3-Benzodioxolo(5,6-c)(1,3)dioxolo(4,5-j)phenanthridine-6-carbonitrile, 5,6-dihydro-5-methyl-, 12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene-11-carbonitrile, 12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(24),2,4(8),9,13,15,20,22-octaene-11-carbonitrile, 5-Methyl-5,6-dihydro-1,3-benzodioxolo[5,6-c][1,3]dioxolo[4,5-j]phenanthridine-6-carbonitrile
| Molecular Formula | C21H14N2O4 |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 358.09537 |
| Heavy Atoms | 27 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 94656-26-5 |
|---|---|
| SMILES | CN1C(C2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OCO3)C#N |
| InChIKey | LOZDSKFFBIELES-UHFFFAOYSA-N |
Product Overview
Avicine pseudocyanide (CAS 94656-26-5), with molecular formula C21H14N2O4 and molecular weight 358.10 g/mol. IUPAC: 12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene-11-carbonitrile.
Chemical Property Profile of Avicine pseudocyanide
Property Insights of Avicine pseudocyanide
The XLogP value of 4.1 indicates that Avicine pseudocyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Avicine pseudocyanide. Following Lipinski's Rule of Five, Avicine pseudocyanide 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 Avicine pseudocyanide?
The CAS number of Avicine pseudocyanide is 94656-26-5.
What is the molecular formula of Avicine pseudocyanide?
The molecular formula of Avicine pseudocyanide is C21H14N2O4.
What is the molecular weight of Avicine pseudocyanide?
The molecular weight of Avicine pseudocyanide is 358.10 g/mol.
Where can I buy Avicine pseudocyanide?
You can request a quote for Avicine pseudocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avicine pseudocyanide?
Yes, KEHONG BIO provides custom synthesis services for Avicine pseudocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.