Xanthene-9-malononitrile
TL;DR: Xanthene-9-malononitrile (CAS 67014-20-4) is a chemical compound with molecular formula C16H10N2O and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9H-xanthen-9-yl)propanedinitrile
Also Known As: Xanthene-9-malononitrile, 9h-xanthen-9-ylpropanedinitrile, 2-(9H-xanthen-9-yl)propanedinitrile, (9H-Xanthen-9-yl)propanedinitrile
| Molecular Formula | C16H10N2O |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.07932 |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 67014-20-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(C#N)C#N |
| InChIKey | ZWUWQDXEIPVKAL-UHFFFAOYSA-N |
Product Overview
Xanthene-9-malononitrile (CAS 67014-20-4), with molecular formula C16H10N2O and molecular weight 246.08 g/mol. IUPAC: 2-(9H-xanthen-9-yl)propanedinitrile.
Chemical Property Profile of Xanthene-9-malononitrile
Property Insights of Xanthene-9-malononitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthene-9-malononitrile. With a topological polar surface area (TPSA) of 56.8 Ų, Xanthene-9-malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthene-9-malononitrile has 0 hydrogen bond donor(s) and 3 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 Xanthene-9-malononitrile?
The CAS number of Xanthene-9-malononitrile is 67014-20-4.
What is the molecular formula of Xanthene-9-malononitrile?
The molecular formula of Xanthene-9-malononitrile is C16H10N2O.
What is the molecular weight of Xanthene-9-malononitrile?
The molecular weight of Xanthene-9-malononitrile is 246.08 g/mol.
Where can I buy Xanthene-9-malononitrile?
You can request a quote for Xanthene-9-malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthene-9-malononitrile?
Yes, KEHONG BIO provides custom synthesis services for Xanthene-9-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.