Hydrocinnamic acid, alpha-isopropyl-O-methyl-
TL;DR: Hydrocinnamic acid, alpha-isopropyl-O-methyl- (CAS 111654-28-5) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-benzyl-3-methylbutanoate
Also Known As: methyl 2-benzyl-3-methylbutanoate, Hydrocinnamic acid, alpha-isopropyl-O-methyl-, METHYL 2-BENZYL-3-METHYL-BUTANOATE, Benzenepropanoic acid,2-methyl-a-(1-methylethyl)-, Hydrocinnamic acid, .alpha.-isopropyl-O-methyl-,
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.13068 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.13068 Da |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
| SMILES | CC(C)C(CC1=CC=CC=C1)C(=O)OC |
| InChIKey | JGHLITBBZZVLBT-UHFFFAOYSA-N |
Chemical Property Profile of Hydrocinnamic acid, alpha-isopropyl-O-methyl-
Property Insights of Hydrocinnamic acid, alpha-isopropyl-O-methyl-
The XLogP value of 3.7 indicates that Hydrocinnamic acid, alpha-isopropyl-O-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hydrocinnamic acid, alpha-isopropyl-O-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrocinnamic acid, alpha-isopropyl-O-methyl- 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 Hydrocinnamic acid, alpha-isopropyl-O-methyl-?
The CAS number of Hydrocinnamic acid, alpha-isopropyl-O-methyl- is 111654-28-5.
What is the molecular formula of Hydrocinnamic acid, alpha-isopropyl-O-methyl-?
The molecular formula of Hydrocinnamic acid, alpha-isopropyl-O-methyl- is C13H18O2.
What is the molecular weight of Hydrocinnamic acid, alpha-isopropyl-O-methyl-?
The molecular weight of Hydrocinnamic acid, alpha-isopropyl-O-methyl- is 206.13068 g/mol.
Where can I buy Hydrocinnamic acid, alpha-isopropyl-O-methyl-?
You can request a quote for Hydrocinnamic acid, alpha-isopropyl-O-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydrocinnamic acid, alpha-isopropyl-O-methyl-?
Yes, CoreyChem provides custom synthesis services for Hydrocinnamic acid, alpha-isopropyl-O-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.