4-甲酰基苯甲酸
TL;DR: 4-甲酰基苯甲酸 (CAS 619-66-9) is a chemical compound with molecular formula C8H6O3 and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲酰基苯甲酸
4-formylbenzoic acid
Also Known As: 4-FORMYLBENZOIC ACID, 4-Carboxybenzaldehyde, Terephthalaldehydic acid, p-Formylbenzoic acid, p-Carboxybenzaldehyde
| Molecular Formula | C8H6O3 |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.0317 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
| Melting Point | 256 °C |
| Boiling Point | SUBLIMES BEFORE REACHING BOILING POINT |
| Solubility | SLIGHTLY SOLUBLE IN HOT WATER; VERY SOLUBLE IN ALCOHOL; SOLUBLE IN ETHER AND IN CHOLROFORM |
| Vapor Pressure | 0.000375 [mmHg] |
Chemical Identifiers
| CAS Number | 619-66-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)C(=O)O |
| InChIKey | GOUHYARYYWKXHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲酰基苯甲酸 (CAS 619-66-9), with molecular formula C8H6O3 and molecular weight 150.03 g/mol. IUPAC: 4-formylbenzoic acid.
Chemical Property Profile of 4-甲酰基苯甲酸
Property Insights of 4-甲酰基苯甲酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲酰基苯甲酸. With a topological polar surface area (TPSA) of 54.4 Ų, 4-甲酰基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲酰基苯甲酸 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 4-甲酰基苯甲酸?
The CAS number of 4-甲酰基苯甲酸 is 619-66-9.
What is the molecular formula of 4-甲酰基苯甲酸?
The molecular formula of 4-甲酰基苯甲酸 is C8H6O3.
What is the molecular weight of 4-甲酰基苯甲酸?
The molecular weight of 4-甲酰基苯甲酸 is 150.03 g/mol.
Where can I buy 4-甲酰基苯甲酸?
You can request a quote for 4-甲酰基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲酰基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲酰基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.