4-丙基苯甲酸
TL;DR: 4-丙基苯甲酸 (CAS 121602-93-5) 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.
4-丙基苯甲酸
4-propylbenzoic acid
Also Known As: 4-Propylbenzoic acid, 4-n-Propylbenzoic acid, 4-Propyl-benzoic acid, 4-Propylbenzoicacid, 4-propyl benzoic acid
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 121602-93-5 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)C(=O)O |
| InChIKey | ATZHGRNFEFVDDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-丙基苯甲酸 (CAS 121602-93-5), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 4-propylbenzoic acid.
Chemical Property Profile of 4-丙基苯甲酸
Property Insights of 4-丙基苯甲酸
The XLogP value of 3.4 indicates that 4-丙基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-丙基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-丙基苯甲酸 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 4-丙基苯甲酸?
The CAS number of 4-丙基苯甲酸 is 121602-93-5.
What is the molecular formula of 4-丙基苯甲酸?
The molecular formula of 4-丙基苯甲酸 is C10H12O2.
What is the molecular weight of 4-丙基苯甲酸?
The molecular weight of 4-丙基苯甲酸 is 164.08 g/mol.
Where can I buy 4-丙基苯甲酸?
You can request a quote for 4-丙基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-丙基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-丙基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.