(3,4-Dichlorophenoxy)acetic acid
TL;DR: (3,4-Dichlorophenoxy)acetic acid (CAS 588-22-7) is a chemical compound with molecular formula C8H6Cl2O3 and molecular weight 219.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenoxy)acetic acid
Also Known As: 3,4-Dichlorophenoxyacetic acid, 2-(3,4-dichlorophenoxy)acetic acid, (3,4-Dichlorophenoxy)acetic acid, Bromocresol purple, Acetic acid, (3,4-dichlorophenoxy)-
| Molecular Formula | C8H6Cl2O3 |
|---|---|
| Molecular Weight | 219.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.9694 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 588-22-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1OCC(=O)O)Cl)Cl |
| InChIKey | SNYRXHULAWEECU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,4-Dichlorophenoxy)acetic acid (CAS 588-22-7), with molecular formula C8H6Cl2O3 and molecular weight 219.97 g/mol. IUPAC: 2-(3,4-dichlorophenoxy)acetic acid.
Chemical Property Profile of (3,4-Dichlorophenoxy)acetic acid
Property Insights of (3,4-Dichlorophenoxy)acetic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-Dichlorophenoxy)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, (3,4-Dichlorophenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-Dichlorophenoxy)acetic acid has 1 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 (3,4-Dichlorophenoxy)acetic acid?
The CAS number of (3,4-Dichlorophenoxy)acetic acid is 588-22-7.
What is the molecular formula of (3,4-Dichlorophenoxy)acetic acid?
The molecular formula of (3,4-Dichlorophenoxy)acetic acid is C8H6Cl2O3.
What is the molecular weight of (3,4-Dichlorophenoxy)acetic acid?
The molecular weight of (3,4-Dichlorophenoxy)acetic acid is 219.97 g/mol.
Where can I buy (3,4-Dichlorophenoxy)acetic acid?
You can request a quote for (3,4-Dichlorophenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Dichlorophenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dichlorophenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.