![3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone structure](/static/products/6505/650571-85-0.webp)
3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone
TL;DR: 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone (CAS 650571-85-0) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
Also Known As: Not Available, 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone, 3-heptyl-2,5-dihydroxy-1,4-benzoquinone, 3-heptyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione, 3-heptyl-2,5-dihydroxybenzo-1,4-quinone
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 2.7527 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 376.8807 |
Chemical Identifiers
| CAS Number | 650571-85-0 |
|---|---|
| SMILES | CCCCCCCC1=C(C(=O)C=C(C1=O)O)O |
Product Overview
3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone (CAS 650571-85-0), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: 3-heptyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone
Property Insights of 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone
The XLogP value of 2.7527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone. Following Lipinski's Rule of Five, 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone has 2 hydrogen bond donor(s) and 4 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 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone?
The CAS number of 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone is 650571-85-0.
What is the molecular formula of 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone?
The molecular formula of 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone is C13H18O4.
What is the molecular weight of 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone?
The molecular weight of 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone is 238.12 g/mol.
Where can I buy 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone?
You can request a quote for 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptyl-2,5-dihydroxy-[1,4]benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.