Methyl 4-Formylbenzoate
TL;DR: Methyl 4-Formylbenzoate (CAS 1571-08-0) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-formylbenzoate
Also Known As: METHYL 4-FORMYLBENZOATE, Methyl p-formylbenzoate, 4-Carbomethoxybenzaldehyde, Methyl terephthalaldehydate, p-Carbomethoxybenzaldehyde
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
| Melting Point | 140 to 62.2 °C |
| Boiling Point | 265.0 °C at 760 mmHg |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | 0.0099 [mmHg] |
Chemical Identifiers
| CAS Number | 1571-08-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C=O |
| InChIKey | FEIOASZZURHTHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-Formylbenzoate (CAS 1571-08-0), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: methyl 4-formylbenzoate.
Chemical Property Profile of Methyl 4-Formylbenzoate
Property Insights of Methyl 4-Formylbenzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-Formylbenzoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-Formylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-Formylbenzoate has 0 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 Methyl 4-Formylbenzoate?
The CAS number of Methyl 4-Formylbenzoate is 1571-08-0.
What is the molecular formula of Methyl 4-Formylbenzoate?
The molecular formula of Methyl 4-Formylbenzoate is C9H8O3.
What is the molecular weight of Methyl 4-Formylbenzoate?
The molecular weight of Methyl 4-Formylbenzoate is 164.05 g/mol.
Where can I buy Methyl 4-Formylbenzoate?
You can request a quote for Methyl 4-Formylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-Formylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-Formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.