3-Oxosapriparaquinone
TL;DR: 3-Oxosapriparaquinone (CAS 119139-56-9) is a chemical compound with molecular formula C20H24O4 and molecular weight 328.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-7-methyl-8-(4-methyl-3-oxopentyl)-3-propan-2-ylnaphthalene-1,2-dione
Also Known As: 3-Oxosapriparaquinone, 4-hydroxy-7-methyl-8-(4-methyl-3-oxopentyl)-3-propan-2-ylnaphthalene-1,2-dione, 3-Hydroxy-2-isopropyl-6-methyl-5-(4-methyl-3-oxopentyl)naphthoquinone, 3-Hydroxy-2-isopropyl-6-methyl-5-(4-methyl-3-oxopentyl)naphthoquinone #, 1,4-Naphthalenedione, 3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methyl-3-oxopentyl)-
| Molecular Formula | C20H24O4 |
|---|---|
| Molecular Weight | 328.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.16745 |
| Heavy Atoms | 24 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 119139-56-9 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=C(C(=O)C2=O)C(C)C)O)CCC(=O)C(C)C |
| InChIKey | BBKFYSFJEKCZAH-UHFFFAOYSA-N |
Product Overview
3-Oxosapriparaquinone (CAS 119139-56-9), with molecular formula C20H24O4 and molecular weight 328.17 g/mol. IUPAC: 4-hydroxy-7-methyl-8-(4-methyl-3-oxopentyl)-3-propan-2-ylnaphthalene-1,2-dione.
Chemical Property Profile of 3-Oxosapriparaquinone
Property Insights of 3-Oxosapriparaquinone
The XLogP value of 3.3 indicates that 3-Oxosapriparaquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxosapriparaquinone. Following Lipinski's Rule of Five, 3-Oxosapriparaquinone has 1 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-Oxosapriparaquinone?
The CAS number of 3-Oxosapriparaquinone is 119139-56-9.
What is the molecular formula of 3-Oxosapriparaquinone?
The molecular formula of 3-Oxosapriparaquinone is C20H24O4.
What is the molecular weight of 3-Oxosapriparaquinone?
The molecular weight of 3-Oxosapriparaquinone is 328.17 g/mol.
Where can I buy 3-Oxosapriparaquinone?
You can request a quote for 3-Oxosapriparaquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxosapriparaquinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxosapriparaquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.