Isophthalaldehyde
TL;DR: Isophthalaldehyde (CAS 626-19-7) is a chemical compound with molecular formula C8H6O2 and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarbaldehyde
Also Known As: Isophthalaldehyde, m-Phthalaldehyde, Isophthaldehyde, 1,3-Benzenedicarboxaldehyde, benzene-1,3-dicarbaldehyde
| Molecular Formula | C8H6O2 |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.03677 |
| Heavy Atoms | 10 |
| Complexity | 117.0 |
| Melting Point | 89 °C |
| Boiling Point | 246 °C |
| Solubility | Slightly soluble in water |
Chemical Identifiers
| CAS Number | 626-19-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C=O)C=O |
| InChIKey | IZALUMVGBVKPJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isophthalaldehyde (CAS 626-19-7), with molecular formula C8H6O2 and molecular weight 134.04 g/mol. IUPAC: benzene-1,3-dicarbaldehyde.
Chemical Property Profile of Isophthalaldehyde
Property Insights of Isophthalaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isophthalaldehyde. With a topological polar surface area (TPSA) of 34.1 Ų, Isophthalaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isophthalaldehyde 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 Isophthalaldehyde?
The CAS number of Isophthalaldehyde is 626-19-7.
What is the molecular formula of Isophthalaldehyde?
The molecular formula of Isophthalaldehyde is C8H6O2.
What is the molecular weight of Isophthalaldehyde?
The molecular weight of Isophthalaldehyde is 134.04 g/mol.
Where can I buy Isophthalaldehyde?
You can request a quote for Isophthalaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophthalaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Isophthalaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.