6-氯-2,3-二甲基苯甲酸
TL;DR: 6-氯-2,3-二甲基苯甲酸 (CAS 5613-24-1) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯-2,3-二甲基苯甲酸
6-chloro-2,3-dimethylbenzoic acid
Also Known As: 6-chloro-2,3-dimethylbenzoic acid, 6-chloro-2,3-dimethyl-benzoic acid, 6-chloro-2,3-dimethylbenzoicacid
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 5613-24-1 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)Cl)C(=O)O)C |
| InChIKey | UFNGKBNVEUVMPQ-UHFFFAOYSA-N |
Product Overview
6-氯-2,3-二甲基苯甲酸 (CAS 5613-24-1), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: 6-chloro-2,3-dimethylbenzoic acid.
Chemical Property Profile of 6-氯-2,3-二甲基苯甲酸
Property Insights of 6-氯-2,3-二甲基苯甲酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-氯-2,3-二甲基苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 6-氯-2,3-二甲基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-氯-2,3-二甲基苯甲酸 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 6-氯-2,3-二甲基苯甲酸?
The CAS number of 6-氯-2,3-二甲基苯甲酸 is 5613-24-1.
What is the molecular formula of 6-氯-2,3-二甲基苯甲酸?
The molecular formula of 6-氯-2,3-二甲基苯甲酸 is C9H9ClO2.
What is the molecular weight of 6-氯-2,3-二甲基苯甲酸?
The molecular weight of 6-氯-2,3-二甲基苯甲酸 is 184.03 g/mol.
Where can I buy 6-氯-2,3-二甲基苯甲酸?
You can request a quote for 6-氯-2,3-二甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯-2,3-二甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 6-氯-2,3-二甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.