三氯甲氧基苯甲酸
TL;DR: 三氯甲氧基苯甲酸 (CAS 73506-98-6) 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.
三氯甲氧基苯甲酸
2-(trichloromethoxy)benzoic acid
Also Known As: Benzoic acid, trichloromethoxy-, 2-(trichloromethoxy)benzoic acid
| Molecular Formula | C8H5Cl3O3 |
|---|---|
| Molecular Weight | 253.93 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.93042 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 73506-98-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)OC(Cl)(Cl)Cl |
| InChIKey | VJDXVKGZXXXKQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯甲氧基苯甲酸 (CAS 73506-98-6), with molecular formula C8H5Cl3O3 and molecular weight 253.93 g/mol. IUPAC: 2-(trichloromethoxy)benzoic acid.
Chemical Property Profile of 三氯甲氧基苯甲酸
Property Insights of 三氯甲氧基苯甲酸
The XLogP value of 3.5 indicates that 三氯甲氧基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 三氯甲氧基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氯甲氧基苯甲酸 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 三氯甲氧基苯甲酸?
The CAS number of 三氯甲氧基苯甲酸 is 73506-98-6.
What is the molecular formula of 三氯甲氧基苯甲酸?
The molecular formula of 三氯甲氧基苯甲酸 is C8H5Cl3O3.
What is the molecular weight of 三氯甲氧基苯甲酸?
The molecular weight of 三氯甲氧基苯甲酸 is 253.93 g/mol.
Where can I buy 三氯甲氧基苯甲酸?
You can request a quote for 三氯甲氧基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯甲氧基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 三氯甲氧基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.