3,4-二甲基苯甲酸
TL;DR: 3,4-二甲基苯甲酸 (CAS 619-04-5) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二甲基苯甲酸
3,4-dimethylbenzoic acid
Also Known As: 3,4-DIMETHYLBENZOIC ACID, Benzoic acid, 3,4-dimethyl-, xylylic acid, 3,4-DiMethyl-Benzoic Acid, o-Xylene-4-carboxylic Acid
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 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 | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| Melting Point | 165 °C |
| Solubility | 0.129 mg/mL |
Chemical Identifiers
| CAS Number | 619-04-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)C |
| InChIKey | OPVAJFQBSDUNQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二甲基苯甲酸 (CAS 619-04-5), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: 3,4-dimethylbenzoic acid.
Chemical Property Profile of 3,4-二甲基苯甲酸
Property Insights of 3,4-二甲基苯甲酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二甲基苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3,4-二甲基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二甲基苯甲酸 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 3,4-二甲基苯甲酸?
The CAS number of 3,4-二甲基苯甲酸 is 619-04-5.
What is the molecular formula of 3,4-二甲基苯甲酸?
The molecular formula of 3,4-二甲基苯甲酸 is C9H10O2.
What is the molecular weight of 3,4-二甲基苯甲酸?
The molecular weight of 3,4-二甲基苯甲酸 is 150.07 g/mol.
Where can I buy 3,4-二甲基苯甲酸?
You can request a quote for 3,4-二甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.