2,5-二氯-4-甲基苯甲酸
TL;DR: 2,5-二氯-4-甲基苯甲酸 (CAS 21460-88-8) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-二氯-4-甲基苯甲酸
2,5-dichloro-4-methylbenzoic acid
Also Known As: 2,5-DICHLORO-4-METHYLBENZOIC ACID, 2,5-Dichloro-4-methylbenzoicacid, 2,5-dichloro-4-methyl-benzoic acid, 2,5-Dichlor-4-methyl-benzoesaeure
| Molecular Formula | C8H6Cl2O2 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.97449 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 21460-88-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(=O)O)Cl |
| InChIKey | KZEKKSQWQXNSBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-二氯-4-甲基苯甲酸 (CAS 21460-88-8), with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol. IUPAC: 2,5-dichloro-4-methylbenzoic acid.
Chemical Property Profile of 2,5-二氯-4-甲基苯甲酸
Property Insights of 2,5-二氯-4-甲基苯甲酸
The XLogP value of 3.1 indicates that 2,5-二氯-4-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, 2,5-二氯-4-甲基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-二氯-4-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 2,5-二氯-4-甲基苯甲酸?
The CAS number of 2,5-二氯-4-甲基苯甲酸 is 21460-88-8.
What is the molecular formula of 2,5-二氯-4-甲基苯甲酸?
The molecular formula of 2,5-二氯-4-甲基苯甲酸 is C8H6Cl2O2.
What is the molecular weight of 2,5-二氯-4-甲基苯甲酸?
The molecular weight of 2,5-二氯-4-甲基苯甲酸 is 203.97 g/mol.
Where can I buy 2,5-二氯-4-甲基苯甲酸?
You can request a quote for 2,5-二氯-4-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 2,5-二氯-4-甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2,5-二氯-4-甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.