2-氯-3,5,6-三甲基苯甲酸
TL;DR: 2-氯-3,5,6-三甲基苯甲酸 (CAS 18354-26-2) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-3,5,6-三甲基苯甲酸
2-chloro-3,5,6-trimethylbenzoic acid
Also Known As: 2-Chloro-3,5,6-trimethylbenzoic acid, BENZOIC ACID, 2-CHLORO-3,5,6-TRIMETHYL-, BENZOIC ACID,2-CHLORO-3,5,6-TRIMETHYL, BRN 2577649, RefChem:326848
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 18354-26-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)C(=O)O)Cl)C |
| InChIKey | UUXKFHFNMBOTDU-UHFFFAOYSA-N |
Product Overview
2-氯-3,5,6-三甲基苯甲酸 (CAS 18354-26-2), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 2-chloro-3,5,6-trimethylbenzoic acid.
Chemical Property Profile of 2-氯-3,5,6-三甲基苯甲酸
Property Insights of 2-氯-3,5,6-三甲基苯甲酸
The XLogP value of 3.2 indicates that 2-氯-3,5,6-三甲基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-氯-3,5,6-三甲基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-3,5,6-三甲基苯甲酸 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 2-氯-3,5,6-三甲基苯甲酸?
The CAS number of 2-氯-3,5,6-三甲基苯甲酸 is 18354-26-2.
What is the molecular formula of 2-氯-3,5,6-三甲基苯甲酸?
The molecular formula of 2-氯-3,5,6-三甲基苯甲酸 is C10H11ClO2.
What is the molecular weight of 2-氯-3,5,6-三甲基苯甲酸?
The molecular weight of 2-氯-3,5,6-三甲基苯甲酸 is 198.04 g/mol.
Where can I buy 2-氯-3,5,6-三甲基苯甲酸?
You can request a quote for 2-氯-3,5,6-三甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-3,5,6-三甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-3,5,6-三甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.