(4-Tert-butyl-2-chlorophenoxy)acetic acid
TL;DR: (4-Tert-butyl-2-chlorophenoxy)acetic acid (CAS 6326-31-4) is a chemical compound with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butyl-2-chlorophenoxy)acetic acid
Also Known As: (4-tert-butyl-2-chlorophenoxy)acetic acid, NCIStruc1_000492, NCIStruc2_000441, 2-(4-tert-butyl-2-chlorophenoxy)acetic acid, NCI60_002088
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 6326-31-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OCC(=O)O)Cl |
| InChIKey | JNBCFSGMPXZHGU-UHFFFAOYSA-N |
Product Overview
(4-Tert-butyl-2-chlorophenoxy)acetic acid (CAS 6326-31-4), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: 2-(4-tert-butyl-2-chlorophenoxy)acetic acid.
Chemical Property Profile of (4-Tert-butyl-2-chlorophenoxy)acetic acid
Property Insights of (4-Tert-butyl-2-chlorophenoxy)acetic acid
The XLogP value of 3.5 indicates that (4-Tert-butyl-2-chlorophenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (4-Tert-butyl-2-chlorophenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Tert-butyl-2-chlorophenoxy)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 (4-Tert-butyl-2-chlorophenoxy)acetic acid?
The CAS number of (4-Tert-butyl-2-chlorophenoxy)acetic acid is 6326-31-4.
What is the molecular formula of (4-Tert-butyl-2-chlorophenoxy)acetic acid?
The molecular formula of (4-Tert-butyl-2-chlorophenoxy)acetic acid is C12H15ClO3.
What is the molecular weight of (4-Tert-butyl-2-chlorophenoxy)acetic acid?
The molecular weight of (4-Tert-butyl-2-chlorophenoxy)acetic acid is 242.07 g/mol.
Where can I buy (4-Tert-butyl-2-chlorophenoxy)acetic acid?
You can request a quote for (4-Tert-butyl-2-chlorophenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Tert-butyl-2-chlorophenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Tert-butyl-2-chlorophenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.