4-丙酰基苯甲酸
TL;DR: 4-丙酰基苯甲酸 (CAS 4219-55-0) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-丙酰基苯甲酸
4-propanoylbenzoic acid
Also Known As: 4-propanoylbenzoic acid, 4-PROPIONYLBENZOIC ACID, P-PROPIONYLBENZOIC ACID, 4-propanylbenzoic acid, 4-propionyl-benzoic acid
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 4219-55-0 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | MQZBJHMHKZVYHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-丙酰基苯甲酸 (CAS 4219-55-0), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 4-propanoylbenzoic acid.
Chemical Property Profile of 4-丙酰基苯甲酸
Property Insights of 4-丙酰基苯甲酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-丙酰基苯甲酸. With a topological polar surface area (TPSA) of 54.4 Ų, 4-丙酰基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对丙酰基苯甲酸 has 1 hydrogen bond donor(s) and 3 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 对丙酰基苯甲酸?
The CAS number of 对丙酰基苯甲酸 is 4219-55-0.
What is the molecular formula of 对丙酰基苯甲酸?
The molecular formula of 对丙酰基苯甲酸 is C10H10O3.
What is the molecular weight of 对丙酰基苯甲酸?
The molecular weight of 对丙酰基苯甲酸 is 178.06 g/mol.
Where can I buy 对丙酰基苯甲酸?
You can request a quote for 对丙酰基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对丙酰基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 对丙酰基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.