Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester
TL;DR: Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester (CAS 62716-87-4) is a chemical compound with molecular formula C17H18O3 and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 4-propan-2-ylbenzoate
Also Known As: (4-methoxyphenyl) 4-propan-2-ylbenzoate, 4-Methoxyphenyl 4-(propan-2-yl)benzoate, Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester, 4-Isopropyl-benzoic acid 4-methoxy-phenyl ester
| Molecular Formula | C17H18O3 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 4.0378 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.12558 |
| Heavy Atoms | 20 |
| Complexity | 568.189 |
Chemical Identifiers
| CAS Number | 62716-87-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC |
Product Overview
Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester (CAS 62716-87-4), with molecular formula C17H18O3 and molecular weight 270.13 g/mol. IUPAC: (4-methoxyphenyl) 4-propan-2-ylbenzoate.
Chemical Property Profile of Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester
Property Insights of Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester
The XLogP value of 4.0378 indicates that Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester?
The CAS number of Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester is 62716-87-4.
What is the molecular formula of Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester?
The molecular formula of Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester is C17H18O3.
What is the molecular weight of Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester?
The molecular weight of Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester is 270.13 g/mol.
Where can I buy Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester?
You can request a quote for Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(1-methylethyl)-, 4-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.