Methyl 4-(4-oxopentyl)benzoate
TL;DR: Methyl 4-(4-oxopentyl)benzoate (CAS 103094-70-8) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(4-oxopentyl)benzoate
Also Known As: Methyl 4-(4-oxopentyl)benzoate, EX-A16613F, 1-4-carbomethoxyphenyl pentan-4-one, Benzoic acid, 4-(4-oxopentyl)-, methyl ester, 4-(4-Oxopentyl)benzoic acid methyl ester
Technical Specifications
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.10994 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.10994 Da |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
| SMILES | CC(=O)CCCC1=CC=C(C=C1)C(=O)OC |
| InChIKey | PCANUTXUTRHVTG-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(4-oxopentyl)benzoate
Property Insights of Methyl 4-(4-oxopentyl)benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-oxopentyl)benzoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-(4-oxopentyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-oxopentyl)benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-(4-oxopentyl)benzoate?
The CAS number of Methyl 4-(4-oxopentyl)benzoate is 103094-70-8.
What is the molecular formula of Methyl 4-(4-oxopentyl)benzoate?
The molecular formula of Methyl 4-(4-oxopentyl)benzoate is C13H16O3.
What is the molecular weight of Methyl 4-(4-oxopentyl)benzoate?
The molecular weight of Methyl 4-(4-oxopentyl)benzoate is 220.10994 g/mol.
Where can I buy Methyl 4-(4-oxopentyl)benzoate?
You can request a quote for Methyl 4-(4-oxopentyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(4-oxopentyl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(4-oxopentyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.