RefChem:1062925
TL;DR: RefChem:1062925 (CAS 67192-53-4) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dienyl]-1,3-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid
Also Known As: (E,E)-2-(4-Carboxy-3-methyl-1,3-butadienyl)-1,3-dimethyl-4-oxo-2-cyclohexene-1-carboxylic acid, 2-Cyclohexene-1-carboxylic acid, 2-(4-carboxy-3-methyl-1,3-butadienyl)-1,3-dimethyl-4-oxo-, (E,E)-, 2-[(1E,3E)-5-hydroxy-3-methyl-5-oxopenta-1,3-dienyl]-1,3-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid, RefChem:1062925
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 2.3438 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 550.6112 |
Chemical Identifiers
| CAS Number | 67192-53-4 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)C(=O)O)/C=C/C(=C/C(=O)O)/C |
Product Overview
RefChem:1062925 (CAS 67192-53-4), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: 2-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dienyl]-1,3-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid.
Chemical Property Profile of RefChem:1062925
Property Insights of RefChem:1062925
The XLogP value of 2.3438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062925. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1062925. Following Lipinski's Rule of Five, RefChem:1062925 has 2 hydrogen bond donor(s) and 3 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 RefChem:1062925?
The CAS number of RefChem:1062925 is 67192-53-4.
What is the molecular formula of RefChem:1062925?
The molecular formula of RefChem:1062925 is C15H18O5.
What is the molecular weight of RefChem:1062925?
The molecular weight of RefChem:1062925 is 278.12 g/mol.
Where can I buy RefChem:1062925?
You can request a quote for RefChem:1062925 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062925?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062925 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.