3,6-Dichlorophthalic acid
TL;DR: 3,6-Dichlorophthalic acid (CAS 16110-99-9) is a chemical compound with molecular formula C8H4Cl2O4 and molecular weight 233.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichlorophthalic acid
Also Known As: 3,6-dichlorophthalic acid, 3,6-dichlorophthalicacid, Phthalic acid, 3,6-dichloro-, 1,2-benzenedicarboxylic acid, 3,6-dichloro-, 3,6-dichlorobenzene-1,2-dicarboxylic acid
| Molecular Formula | C8H4Cl2O4 |
|---|---|
| Molecular Weight | 233.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.94867 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 16110-99-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)C(=O)O)C(=O)O)Cl |
| InChIKey | FLKHCKPUJWBHCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Dichlorophthalic acid (CAS 16110-99-9), with molecular formula C8H4Cl2O4 and molecular weight 233.95 g/mol. IUPAC: 3,6-dichlorophthalic acid.
Chemical Property Profile of 3,6-Dichlorophthalic acid
Property Insights of 3,6-Dichlorophthalic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dichlorophthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dichlorophthalic acid. Following Lipinski's Rule of Five, 3,6-Dichlorophthalic acid has 2 hydrogen bond donor(s) and 4 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 3,6-Dichlorophthalic acid?
The CAS number of 3,6-Dichlorophthalic acid is 16110-99-9.
What is the molecular formula of 3,6-Dichlorophthalic acid?
The molecular formula of 3,6-Dichlorophthalic acid is C8H4Cl2O4.
What is the molecular weight of 3,6-Dichlorophthalic acid?
The molecular weight of 3,6-Dichlorophthalic acid is 233.95 g/mol.
Where can I buy 3,6-Dichlorophthalic acid?
You can request a quote for 3,6-Dichlorophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dichlorophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dichlorophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.