Benzoic acid, 3-(1-methylethyl)-
TL;DR: Benzoic acid, 3-(1-methylethyl)- (CAS 5651-47-8) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-ylbenzoic acid
Also Known As: 3-Isopropylbenzoic acid, 3-propan-2-ylbenzoic acid, m-Cuminic acid, m-Cumic acid, 3-(propan-2-yl)benzoic acid
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 5651-47-8 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)C(=O)O |
| InChIKey | DLYVSJDCQZVKMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-(1-methylethyl)- (CAS 5651-47-8), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 3-propan-2-ylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-(1-methylethyl)-
Property Insights of Benzoic acid, 3-(1-methylethyl)-
The XLogP value of 3.1 indicates that Benzoic acid, 3-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzoic acid, 3-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(1-methylethyl)- 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 Benzoic acid, 3-(1-methylethyl)-?
The CAS number of Benzoic acid, 3-(1-methylethyl)- is 5651-47-8.
What is the molecular formula of Benzoic acid, 3-(1-methylethyl)-?
The molecular formula of Benzoic acid, 3-(1-methylethyl)- is C10H12O2.
What is the molecular weight of Benzoic acid, 3-(1-methylethyl)-?
The molecular weight of Benzoic acid, 3-(1-methylethyl)- is 164.08 g/mol.
Where can I buy Benzoic acid, 3-(1-methylethyl)-?
You can request a quote for Benzoic acid, 3-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.