4-(1-Methylethyl)phenyl 3-methylbenzoate
TL;DR: 4-(1-Methylethyl)phenyl 3-methylbenzoate (CAS 304673-63-0) 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.
(4-propan-2-ylphenyl) 3-methylbenzoate
Also Known As: 4-(1-methylethyl)phenyl 3-methylbenzoate, (4-propan-2-ylphenyl) 3-methylbenzoate, 4-(methylethyl)phenyl 3-methylbenzoate, BAS 00581502, 3-Methylbenzoic acid, 4-isopropylphenyl ester
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 304673-63-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)C(C)C |
| InChIKey | AWYMMPOIANWWOU-UHFFFAOYSA-N |
Product Overview
4-(1-Methylethyl)phenyl 3-methylbenzoate (CAS 304673-63-0), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: (4-propan-2-ylphenyl) 3-methylbenzoate.
Chemical Property Profile of 4-(1-Methylethyl)phenyl 3-methylbenzoate
Property Insights of 4-(1-Methylethyl)phenyl 3-methylbenzoate
The XLogP value of 4.8 indicates that 4-(1-Methylethyl)phenyl 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, 4-(1-Methylethyl)phenyl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Methylethyl)phenyl 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
Frequently Asked Questions
What is the CAS number of 4-(1-Methylethyl)phenyl 3-methylbenzoate?
The CAS number of 4-(1-Methylethyl)phenyl 3-methylbenzoate is 304673-63-0.
What is the molecular formula of 4-(1-Methylethyl)phenyl 3-methylbenzoate?
The molecular formula of 4-(1-Methylethyl)phenyl 3-methylbenzoate is C17H18O2.
What is the molecular weight of 4-(1-Methylethyl)phenyl 3-methylbenzoate?
The molecular weight of 4-(1-Methylethyl)phenyl 3-methylbenzoate is 254.13 g/mol.
Where can I buy 4-(1-Methylethyl)phenyl 3-methylbenzoate?
You can request a quote for 4-(1-Methylethyl)phenyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Methylethyl)phenyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Methylethyl)phenyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.