Benzoic acid, butyl-
TL;DR: Benzoic acid, butyl- (CAS 54887-23-9) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylbenzoic acid
Also Known As: 2-butylbenzoic Acid, butylbenzoic acid, Benzoic acid, butyl-, Benzoicacid, butyl-, Benzoicacid,butyl
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 54887-23-9 |
|---|---|
| SMILES | CCCCC1=CC=CC=C1C(=O)O |
| InChIKey | SMNNDVUKAKPGDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, butyl- (CAS 54887-23-9), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-butylbenzoic acid.
Chemical Property Profile of Benzoic acid, butyl-
Property Insights of Benzoic acid, butyl-
The XLogP value of 4.0 indicates that Benzoic acid, butyl- 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, butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, butyl- 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, butyl-?
The CAS number of Benzoic acid, butyl- is 54887-23-9.
What is the molecular formula of Benzoic acid, butyl-?
The molecular formula of Benzoic acid, butyl- is C11H14O2.
What is the molecular weight of Benzoic acid, butyl-?
The molecular weight of Benzoic acid, butyl- is 178.10 g/mol.
Where can I buy Benzoic acid, butyl-?
You can request a quote for Benzoic acid, butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, butyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.