Pendulone
TL;DR: Pendulone (CAS 69359-09-7) is a chemical compound with molecular formula C17H16O6 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Also Known As: Pendulone, ( )-Pendulone, 7-Hydroxy-3',4'-dimethoxyisoflavanquinone, HY-N7985, SID:464079044
| Molecular Formula | C17H16O6 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 1.5259 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0947 |
| Heavy Atoms | 23 |
| Complexity | 743.4505 |
Chemical Identifiers
| CAS Number | 69359-09-7 |
|---|---|
| SMILES | COC1=C(C(=O)C(=CC1=O)C2CC3=C(C=C(C=C3)O)OC2)OC |
Product Overview
Pendulone (CAS 69359-09-7), with molecular formula C17H16O6 and molecular weight 316.09 g/mol. IUPAC: 5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Pendulone
Property Insights of Pendulone
The XLogP value of 1.5259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pendulone. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Pendulone. Following Lipinski's Rule of Five, Pendulone has 1 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 Pendulone?
The CAS number of Pendulone is 69359-09-7.
What is the molecular formula of Pendulone?
The molecular formula of Pendulone is C17H16O6.
What is the molecular weight of Pendulone?
The molecular weight of Pendulone is 316.09 g/mol.
Where can I buy Pendulone?
You can request a quote for Pendulone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pendulone?
Yes, KEHONG BIO provides custom synthesis services for Pendulone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.