1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone
TL;DR: 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone (CAS 18002-32-9) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetyl-4,5-dihydroxy-7-methylnaphthalen-1-yl)ethanone
Also Known As: KST-1B1153, 1,1'-(4,5-dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone, 2,4-Diacetyl-6-methyl-naphthalin-1,8-diol, 1-(3-acetyl-4,5-dihydroxy-7-methylnaphthalen-1-yl)ethanone, 1-(3-acetyl-4,5-dihydroxy-7-methylnaphthalen-1-yl)ethan-1-one
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 18002-32-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=C(C=C2C(=O)C)C(=O)C)O |
| InChIKey | LMUCEZHMQJWKNT-UHFFFAOYSA-N |
Product Overview
1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone (CAS 18002-32-9), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 1-(3-acetyl-4,5-dihydroxy-7-methylnaphthalen-1-yl)ethanone.
Chemical Property Profile of 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone
Property Insights of 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone. Following Lipinski's Rule of Five, 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone 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 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone?
The CAS number of 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone is 18002-32-9.
What is the molecular formula of 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone?
The molecular formula of 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone is C15H14O4.
What is the molecular weight of 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone?
The molecular weight of 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone is 258.09 g/mol.
Where can I buy 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone?
You can request a quote for 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4,5-Dihydroxy-7-methylnaphthalene-1,3-diyl)diethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.