2-羟基-6-氧代-7-甲基辛-2,4-二烯酸
TL;DR: 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸 (CAS 105688-62-8) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟基-6-氧代-7-甲基辛-2,4-二烯酸
2-hydroxy-7-methyl-6-oxoocta-2,4-dienoic acid
Also Known As: 2-hydroxy-7-methyl-6-oxoocta-2,4-dienoic acid, 2-hydroxy-6-oxo-7-methylocta-2,4-dienoic acid, 2,4-Octadienoicacid, 2-hydroxy-7-methyl-6-oxo-, (E,Z)- (9CI), 2,4-Octadienoic acid, 2-hydroxy-7-methyl-6-oxo-, (E,Z)-
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 105688-62-8 |
|---|---|
| SMILES | CC(C)C(=O)C=CC=C(C(=O)O)O |
| InChIKey | OEUMAONYVQQDBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羟基-6-氧代-7-甲基辛-2,4-二烯酸 (CAS 105688-62-8), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: 2-hydroxy-7-methyl-6-oxoocta-2,4-dienoic acid.
Chemical Property Profile of 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸
Property Insights of 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸. Following Lipinski's Rule of Five, 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸 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 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸?
The CAS number of 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸 is 105688-62-8.
What is the molecular formula of 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸?
The molecular formula of 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸 is C9H12O4.
What is the molecular weight of 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸?
The molecular weight of 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸 is 184.07 g/mol.
Where can I buy 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸?
You can request a quote for 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基-6-氧代-7-甲基辛-2,4-二烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.