5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid
TL;DR: 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid (CAS 73469-57-5) 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.
5-tert-butyl-3-chloro-2-methoxybenzoic acid
Also Known As: 5-(tert-butyl)-3-chloro-2-methoxybenzoic acid, 5-tert-butyl-3-chloro-2-methoxybenzoic acid, 3-chloro-2-methoxy-5-tert-butyl-benzoic Acid, 5-(t-Butyl)-3-chloro-2-methoxybenZoic acid
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 3.3443 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 419.00742 |
Chemical Identifiers
| CAS Number | 73469-57-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)Cl)OC)C(=O)O |
Product Overview
5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid (CAS 73469-57-5), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: 5-tert-butyl-3-chloro-2-methoxybenzoic acid.
Chemical Property Profile of 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid
Property Insights of 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid
The XLogP value of 3.3443 indicates that 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid has 1 hydrogen bond donor(s) and 2 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 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid?
The CAS number of 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid is 73469-57-5.
What is the molecular formula of 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid?
The molecular formula of 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid is C12H15ClO3.
What is the molecular weight of 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid?
The molecular weight of 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid is 242.07 g/mol.
Where can I buy 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid?
You can request a quote for 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Tert-butyl)-3-chloro-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.