Claussequinone
TL;DR: Claussequinone (CAS 35878-39-8) is a chemical compound with molecular formula C16H14O5 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: Claussequinone, ( )-Claussequinone, Claussequinone, (3R)-, 7-Hydroxy-4'-methoxyisoflavanquinone, PDAKXMIQFUHWQC-UHFFFAOYSA-
| Molecular Formula | C16H14O5 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.08414 |
| Heavy Atoms | 21 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 35878-39-8 |
|---|---|
| SMILES | COC1=CC(=O)C(=CC1=O)C2CC3=C(C=C(C=C3)O)OC2 |
| InChIKey | PDAKXMIQFUHWQC-UHFFFAOYSA-N |
Product Overview
Claussequinone (CAS 35878-39-8), with molecular formula C16H14O5 and molecular weight 286.08 g/mol. IUPAC: 2-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Claussequinone
Property Insights of Claussequinone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Claussequinone. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Claussequinone. Following Lipinski's Rule of Five, Claussequinone has 1 hydrogen bond donor(s) and 5 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 Claussequinone?
The CAS number of Claussequinone is 35878-39-8.
What is the molecular formula of Claussequinone?
The molecular formula of Claussequinone is C16H14O5.
What is the molecular weight of Claussequinone?
The molecular weight of Claussequinone is 286.08 g/mol.
Where can I buy Claussequinone?
You can request a quote for Claussequinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Claussequinone?
Yes, KEHONG BIO provides custom synthesis services for Claussequinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.