9-Oxoxanthene-1-carbonitrile
TL;DR: 9-Oxoxanthene-1-carbonitrile (CAS 100540-64-5) is a chemical compound with molecular formula C14H7NO2 and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-oxoxanthene-1-carbonitrile
Also Known As: Xanthone der., 9-Oxoxanthenecarbonitrile, 9-oxoxanthene-1-carbonitrile, 9-oxo-9h-xanthene-1-carbonitrile, 9-oxo-xanthene-1-carbonitrile
| Molecular Formula | C14H7NO2 |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.04768 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 100540-64-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC=C3O2)C#N |
| InChIKey | LKCYMRFUTJFFSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Oxoxanthene-1-carbonitrile (CAS 100540-64-5), with molecular formula C14H7NO2 and molecular weight 221.05 g/mol. IUPAC: 9-oxoxanthene-1-carbonitrile.
Chemical Property Profile of 9-Oxoxanthene-1-carbonitrile
Property Insights of 9-Oxoxanthene-1-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Oxoxanthene-1-carbonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 9-Oxoxanthene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Oxoxanthene-1-carbonitrile 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 9-Oxoxanthene-1-carbonitrile?
The CAS number of 9-Oxoxanthene-1-carbonitrile is 100540-64-5.
What is the molecular formula of 9-Oxoxanthene-1-carbonitrile?
The molecular formula of 9-Oxoxanthene-1-carbonitrile is C14H7NO2.
What is the molecular weight of 9-Oxoxanthene-1-carbonitrile?
The molecular weight of 9-Oxoxanthene-1-carbonitrile is 221.05 g/mol.
Where can I buy 9-Oxoxanthene-1-carbonitrile?
You can request a quote for 9-Oxoxanthene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Oxoxanthene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 9-Oxoxanthene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.