4,4'-二甲基联苯-2,2'-二甲酸
TL;DR: 4,4'-二甲基联苯-2,2'-二甲酸 (CAS 2941-79-9) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4'-二甲基联苯-2,2'-二甲酸
2-(2-carboxy-4-methylphenyl)-5-methylbenzoic acid
Also Known As: bis3MeBzA, Suvorexant Impurity 14, Suvorexant Impurity 35, 4,4'-Dimethyl[1,1'-biphenyl]-2,2'-dicarboxylic acid, 4,4'-Dimethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 2941-79-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C)C(=O)O)C(=O)O |
| InChIKey | JURAOGMOBVQPBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-二甲基联苯-2,2'-二甲酸 (CAS 2941-79-9), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 2-(2-carboxy-4-methylphenyl)-5-methylbenzoic acid.
Chemical Property Profile of 4,4'-二甲基联苯-2,2'-二甲酸
Property Insights of 4,4'-二甲基联苯-2,2'-二甲酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-二甲基联苯-2,2'-二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-二甲基联苯-2,2'-二甲酸. Following Lipinski's Rule of Five, 4,4'-二甲基联苯-2,2'-二甲酸 has 2 hydrogen bond donor(s) and 4 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 4,4'-二甲基联苯-2,2'-二甲酸?
The CAS number of 4,4'-二甲基联苯-2,2'-二甲酸 is 2941-79-9.
What is the molecular formula of 4,4'-二甲基联苯-2,2'-二甲酸?
The molecular formula of 4,4'-二甲基联苯-2,2'-二甲酸 is C16H14O4.
What is the molecular weight of 4,4'-二甲基联苯-2,2'-二甲酸?
The molecular weight of 4,4'-二甲基联苯-2,2'-二甲酸 is 270.09 g/mol.
Where can I buy 4,4'-二甲基联苯-2,2'-二甲酸?
You can request a quote for 4,4'-二甲基联苯-2,2'-二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-二甲基联苯-2,2'-二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-二甲基联苯-2,2'-二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.