3,6-Dichloro-2-methoxyphenoxyacetic acid
TL;DR: 3,6-Dichloro-2-methoxyphenoxyacetic acid (CAS 21813-93-4) is a chemical compound with molecular formula C9H8Cl2O4 and molecular weight 249.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,6-dichloro-2-methoxyphenoxy)acetic acid
Also Known As: 3,6-Dichloro-2-methoxyphenoxyacetic acid, 2-(3,6-dichloro-2-methoxyphenoxy)acetic acid, (3,6-Dichloro-2-methoxyphenoxy)acetic acid
| Molecular Formula | C9H8Cl2O4 |
|---|---|
| Molecular Weight | 249.98 g/mol |
| LogP | 2.4654 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.97997 |
| Heavy Atoms | 15 |
| Complexity | 378.62024 |
Chemical Identifiers
| CAS Number | 21813-93-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1OCC(=O)O)Cl)Cl |
Product Overview
3,6-Dichloro-2-methoxyphenoxyacetic acid (CAS 21813-93-4), with molecular formula C9H8Cl2O4 and molecular weight 249.98 g/mol. IUPAC: 2-(3,6-dichloro-2-methoxyphenoxy)acetic acid.
Chemical Property Profile of 3,6-Dichloro-2-methoxyphenoxyacetic acid
Property Insights of 3,6-Dichloro-2-methoxyphenoxyacetic acid
The XLogP value of 2.4654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dichloro-2-methoxyphenoxyacetic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3,6-Dichloro-2-methoxyphenoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dichloro-2-methoxyphenoxyacetic 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 3,6-Dichloro-2-methoxyphenoxyacetic acid?
The CAS number of 3,6-Dichloro-2-methoxyphenoxyacetic acid is 21813-93-4.
What is the molecular formula of 3,6-Dichloro-2-methoxyphenoxyacetic acid?
The molecular formula of 3,6-Dichloro-2-methoxyphenoxyacetic acid is C9H8Cl2O4.
What is the molecular weight of 3,6-Dichloro-2-methoxyphenoxyacetic acid?
The molecular weight of 3,6-Dichloro-2-methoxyphenoxyacetic acid is 249.98 g/mol.
Where can I buy 3,6-Dichloro-2-methoxyphenoxyacetic acid?
You can request a quote for 3,6-Dichloro-2-methoxyphenoxyacetic 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-Dichloro-2-methoxyphenoxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dichloro-2-methoxyphenoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.