![2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸 structure](/static/products/7119/71195-68-1.webp)
2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸
TL;DR: 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸 (CAS 71195-68-1) 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-[[4-(1-甲基乙基)苯基]甲基]苯甲酸
2-[(4-propan-2-ylphenyl)methyl]benzoic acid
Also Known As: alpha-(p-Isopropylphenyl)-o-toluic acid, 2-[[4- phenyl]methyl]benzoicacid, Benzoic acid, 2-[[4-(1-methylethyl)phenyl]methyl]-, 2-{[4-(propan-2-yl)phenyl]methyl}benzoic acid, 2-[[4-(1-Methylethyl)phenyl]methyl]benzoic acid
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 71195-68-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O |
| InChIKey | XPRRFYQYOQSCRG-UHFFFAOYSA-N |
Product Overview
2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸 (CAS 71195-68-1), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: 2-[(4-propan-2-ylphenyl)methyl]benzoic acid.
Chemical Property Profile of 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸
Property Insights of 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸
The XLogP value of 3.4 indicates that 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸 has 1 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 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸?
The CAS number of 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸 is 71195-68-1.
What is the molecular formula of 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸?
The molecular formula of 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸 is C17H18O2.
What is the molecular weight of 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸?
The molecular weight of 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸 is 254.13 g/mol.
Where can I buy 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸?
You can request a quote for 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(1-甲基乙基)苯基]甲基]苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.