氧杂蒽酮
TL;DR: 氧杂蒽酮 (CAS 90-47-1) is a chemical compound with molecular formula C13H8O2 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氧杂蒽酮
xanthen-9-one
Also Known As: XANTHONE, 9H-Xanthen-9-one, Xanthen-9-one, 9-Xanthenone, Xanthenone
| Molecular Formula | C13H8O2 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.05243 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| Vapor Pressure | 0.0000585 [mmHg] |
Chemical Identifiers
| CAS Number | 90-47-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2 |
| InChIKey | JNELGWHKGNBSMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氧杂蒽酮 (CAS 90-47-1), with molecular formula C13H8O2 and molecular weight 196.05 g/mol. IUPAC: xanthen-9-one.
Chemical Property Profile of 氧杂蒽酮
Property Insights of 氧杂蒽酮
The XLogP value of 3.4 indicates that 氧杂蒽酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 氧杂蒽酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氧杂蒽酮 has 0 hydrogen bond donor(s) and 2 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 氧杂蒽酮?
The CAS number of 氧杂蒽酮 is 90-47-1.
What is the molecular formula of 氧杂蒽酮?
The molecular formula of 氧杂蒽酮 is C13H8O2.
What is the molecular weight of 氧杂蒽酮?
The molecular weight of 氧杂蒽酮 is 196.05 g/mol.
Where can I buy 氧杂蒽酮?
You can request a quote for 氧杂蒽酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氧杂蒽酮?
Yes, KEHONG BIO provides custom synthesis services for 氧杂蒽酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.