3-Phenylpropyl 3-methylbenzoate
TL;DR: 3-Phenylpropyl 3-methylbenzoate (CAS 10318-17-9) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylpropyl 3-methylbenzoate
Also Known As: 3-Phenylpropyl 3-methylbenzoate, 3-phenylpropyl3-methylbenzoate, 3-Phenylpropyl 3-methylbenzoate #, m-Toluic acid, 3-phenylpropyl ester, Benzoic acid,3-methyl-, 3-phenylpropyl ester
Technical Specifications
| Molecular Formula | C17H18O2 |
| Molecular Weight | 254.13068 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.13068 Da |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)OCCCC2=CC=CC=C2 |
| InChIKey | XOWCWLVJFBZFFJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenylpropyl 3-methylbenzoate
Property Insights of 3-Phenylpropyl 3-methylbenzoate
The XLogP value of 4.5 indicates that 3-Phenylpropyl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylpropyl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl 3-methylbenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Phenylpropyl 3-methylbenzoate?
The CAS number of 3-Phenylpropyl 3-methylbenzoate is 10318-17-9.
What is the molecular formula of 3-Phenylpropyl 3-methylbenzoate?
The molecular formula of 3-Phenylpropyl 3-methylbenzoate is C17H18O2.
What is the molecular weight of 3-Phenylpropyl 3-methylbenzoate?
The molecular weight of 3-Phenylpropyl 3-methylbenzoate is 254.13068 g/mol.
Where can I buy 3-Phenylpropyl 3-methylbenzoate?
You can request a quote for 3-Phenylpropyl 3-methylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenylpropyl 3-methylbenzoate?
Yes, CoreyChem provides custom synthesis services for 3-Phenylpropyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.