AI-942/13331896
TL;DR: AI-942/13331896 (CAS 6448-75-5) is a chemical compound with molecular formula C14H6N4O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,8b-dihydrofuro[3,4-b][1]benzofuran-1,1,3,3-tetracarbonitrile
Also Known As: 3a,8b-dihydrofuro[3,4-b][1]benzofuran-1,1,3,3-tetracarbonitrile, AI-942/13331896, RefChem:317847, CID 5212577
| Molecular Formula | C14H6N4O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 1.13332 |
| Topological Polar Surface Area | 113.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.04907 |
| Heavy Atoms | 20 |
| Complexity | 731.0944 |
Chemical Identifiers
| CAS Number | 6448-75-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3C(O2)C(OC3(C#N)C#N)(C#N)C#N |
Product Overview
AI-942/13331896 (CAS 6448-75-5), with molecular formula C14H6N4O2 and molecular weight 262.05 g/mol. IUPAC: 3a,8b-dihydrofuro[3,4-b][1]benzofuran-1,1,3,3-tetracarbonitrile.
Chemical Property Profile of AI-942/13331896
Property Insights of AI-942/13331896
The XLogP value of 1.13332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI-942/13331896. The TPSA of 113.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-942/13331896. Following Lipinski's Rule of Five, AI-942/13331896 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 AI-942/13331896?
The CAS number of AI-942/13331896 is 6448-75-5.
What is the molecular formula of AI-942/13331896?
The molecular formula of AI-942/13331896 is C14H6N4O2.
What is the molecular weight of AI-942/13331896?
The molecular weight of AI-942/13331896 is 262.05 g/mol.
Where can I buy AI-942/13331896?
You can request a quote for AI-942/13331896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-942/13331896?
Yes, KEHONG BIO provides custom synthesis services for AI-942/13331896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.