3-Methoxybenzaldehyde
TL;DR: 3-Methoxybenzaldehyde (CAS 591-31-1) is a chemical compound with molecular formula C8H8O2 and molecular weight 136.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxybenzaldehyde
Also Known As: 3-Methoxybenzaldehyde, M-ANISALDEHYDE, 3-Anisaldehyde, m-Methoxybenzaldehyde, Benzaldehyde, 3-methoxy-
| Molecular Formula | C8H8O2 |
|---|---|
| Molecular Weight | 136.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.05243 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
| Boiling Point | 143.00 °C. @ 50.00 mm Hg |
Chemical Identifiers
| CAS Number | 591-31-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C=O |
| InChIKey | WMPDAIZRQDCGFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxybenzaldehyde (CAS 591-31-1), with molecular formula C8H8O2 and molecular weight 136.05 g/mol. IUPAC: 3-methoxybenzaldehyde.
Chemical Property Profile of 3-Methoxybenzaldehyde
Property Insights of 3-Methoxybenzaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybenzaldehyde. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybenzaldehyde has 0 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 3-Methoxybenzaldehyde?
The CAS number of 3-Methoxybenzaldehyde is 591-31-1.
What is the molecular formula of 3-Methoxybenzaldehyde?
The molecular formula of 3-Methoxybenzaldehyde is C8H8O2.
What is the molecular weight of 3-Methoxybenzaldehyde?
The molecular weight of 3-Methoxybenzaldehyde is 136.05 g/mol.
Where can I buy 3-Methoxybenzaldehyde?
You can request a quote for 3-Methoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.