5-Isopropyl-2-methylphenyl benzoate
TL;DR: 5-Isopropyl-2-methylphenyl benzoate (CAS 100752-52-1) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5-propan-2-ylphenyl) benzoate
Also Known As: 5-isopropyl-2-methylphenyl benzoate, Benzoesaeure-carvacrylester, 2-Methyl-5-isopropylphenol benzoate, 2-methyl-5-isopropyl-phenyl benzoate, (2-methyl-5-propan-2-ylphenyl) benzoate
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 4.33762 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 571.07086 |
Chemical Identifiers
| CAS Number | 100752-52-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)OC(=O)C2=CC=CC=C2 |
Product Overview
5-Isopropyl-2-methylphenyl benzoate (CAS 100752-52-1), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: (2-methyl-5-propan-2-ylphenyl) benzoate.
Chemical Property Profile of 5-Isopropyl-2-methylphenyl benzoate
Property Insights of 5-Isopropyl-2-methylphenyl benzoate
The XLogP value of 4.33762 indicates that 5-Isopropyl-2-methylphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Isopropyl-2-methylphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isopropyl-2-methylphenyl benzoate 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
Frequently Asked Questions
What is the CAS number of 5-Isopropyl-2-methylphenyl benzoate?
The CAS number of 5-Isopropyl-2-methylphenyl benzoate is 100752-52-1.
What is the molecular formula of 5-Isopropyl-2-methylphenyl benzoate?
The molecular formula of 5-Isopropyl-2-methylphenyl benzoate is C17H18O2.
What is the molecular weight of 5-Isopropyl-2-methylphenyl benzoate?
The molecular weight of 5-Isopropyl-2-methylphenyl benzoate is 254.13 g/mol.
Where can I buy 5-Isopropyl-2-methylphenyl benzoate?
You can request a quote for 5-Isopropyl-2-methylphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isopropyl-2-methylphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Isopropyl-2-methylphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.