7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione
TL;DR: 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione (CAS 74635-95-3) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1,2-dione
Also Known As: Hibiscoquinone B, 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione, 7,8-Dihydroxy-3-methyl-5-isopropyl-1,2-naphthalenedione, 7,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1,2-dione, 1,2-Naphthalenedione,7,8-dihydroxy-3-methyl-5-(1-methylethyl)-
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 74635-95-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1O)O)C(=O)C(=O)C=C2C(C)C |
| InChIKey | VDMDXGNTZWPHEP-UHFFFAOYSA-N |
Product Overview
7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione (CAS 74635-95-3), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: 7,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1,2-dione.
Chemical Property Profile of 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione
Property Insights of 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione. Following Lipinski's Rule of Five, 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione 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 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione?
The CAS number of 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione is 74635-95-3.
What is the molecular formula of 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione?
The molecular formula of 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione is C14H14O4.
What is the molecular weight of 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione?
The molecular weight of 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione is 246.09 g/mol.
Where can I buy 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione?
You can request a quote for 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.