2,3,6-三氯苯甲醛
TL;DR: 2,3,6-三氯苯甲醛 (CAS 4659-47-6) is a chemical compound with molecular formula C7H3Cl3O and molecular weight 207.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-三氯苯甲醛
2,3,6-trichlorobenzaldehyde
Also Known As: 2,3,6-TRICHLOROBENZALDEHYDE, Benzaldehyde, 2,3,6-trichloro-, Hederagonic acid, 2,3,6-trichlorbenzaldehyd, 2,3,6-trichloro benzaldehyde
| Molecular Formula | C7H3Cl3O |
|---|---|
| Molecular Weight | 207.92 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.92494 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
| Melting Point | 86-87 °C |
| Solubility | VERY SOL IN ETHER, ACETONE, BENZENE, & HOT PETROLEUM ETHER; SLIGHTLY SOL IN PETROLEUM ETHER |
Chemical Identifiers
| CAS Number | 4659-47-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)C=O)Cl)Cl |
| InChIKey | AURSMWWOMOVHBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,6-三氯苯甲醛 (CAS 4659-47-6), with molecular formula C7H3Cl3O and molecular weight 207.92 g/mol. IUPAC: 2,3,6-trichlorobenzaldehyde.
Chemical Property Profile of 2,3,6-三氯苯甲醛
Property Insights of 2,3,6-三氯苯甲醛
The XLogP value of 3.5 indicates that 2,3,6-三氯苯甲醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3,6-三氯苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-三氯苯甲醛 has 0 hydrogen bond donor(s) and 1 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 2,3,6-三氯苯甲醛?
The CAS number of 2,3,6-三氯苯甲醛 is 4659-47-6.
What is the molecular formula of 2,3,6-三氯苯甲醛?
The molecular formula of 2,3,6-三氯苯甲醛 is C7H3Cl3O.
What is the molecular weight of 2,3,6-三氯苯甲醛?
The molecular weight of 2,3,6-三氯苯甲醛 is 207.92 g/mol.
Where can I buy 2,3,6-三氯苯甲醛?
You can request a quote for 2,3,6-三氯苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-三氯苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-三氯苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.