2,3,6-三氯苯氧基乙酸
TL;DR: 2,3,6-三氯苯氧基乙酸 (CAS 4007-00-5) is a chemical compound with molecular formula C8H5Cl3O3 and molecular weight 253.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-三氯苯氧基乙酸
2-(2,3,6-trichlorophenoxy)acetic acid
Also Known As: 2,3,6-Trichlorophenoxyacetic acid, (2,3,6-Trichlorophenoxy)acetic acid, 2-(2,3,6-trichlorophenoxy)acetic acid, KST-1A4787, Acetic acid, (2,3,6-trichlorophenoxy)-
| Molecular Formula | C8H5Cl3O3 |
|---|---|
| Molecular Weight | 253.93 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.93042 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 4007-00-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)OCC(=O)O)Cl)Cl |
| InChIKey | GQOHYQAHKDLXCV-UHFFFAOYSA-N |
Product Overview
2,3,6-三氯苯氧基乙酸 (CAS 4007-00-5), with molecular formula C8H5Cl3O3 and molecular weight 253.93 g/mol. IUPAC: 2-(2,3,6-trichlorophenoxy)acetic acid.
Chemical Property Profile of 2,3,6-三氯苯氧基乙酸
Property Insights of 2,3,6-三氯苯氧基乙酸
The XLogP value of 3.4 indicates that 2,3,6-三氯苯氧基乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2,3,6-三氯苯氧基乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-三氯苯氧基乙酸 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 2,3,6-三氯苯氧基乙酸?
The CAS number of 2,3,6-三氯苯氧基乙酸 is 4007-00-5.
What is the molecular formula of 2,3,6-三氯苯氧基乙酸?
The molecular formula of 2,3,6-三氯苯氧基乙酸 is C8H5Cl3O3.
What is the molecular weight of 2,3,6-三氯苯氧基乙酸?
The molecular weight of 2,3,6-三氯苯氧基乙酸 is 253.93 g/mol.
Where can I buy 2,3,6-三氯苯氧基乙酸?
You can request a quote for 2,3,6-三氯苯氧基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-三氯苯氧基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-三氯苯氧基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.