4-二甲氨基苯甲酸
TL;DR: 4-二甲氨基苯甲酸 (CAS 619-84-1) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-二甲氨基苯甲酸
4-(dimethylamino)benzoic acid
Also Known As: 4-(Dimethylamino)benzoic acid, 4-DIMETHYLAMINOBENZOIC ACID, Benzoic acid, 4-(dimethylamino)-, null, p-Dimethylaminobenzoic acid
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
| Vapor Pressure | 0.000625 [mmHg] |
Chemical Identifiers
| CAS Number | 619-84-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)O |
| InChIKey | YDIYEOMDOWUDTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-二甲氨基苯甲酸 (CAS 619-84-1), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 4-(dimethylamino)benzoic acid.
Chemical Property Profile of 4-二甲氨基苯甲酸
Property Insights of 4-二甲氨基苯甲酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-二甲氨基苯甲酸. With a topological polar surface area (TPSA) of 40.5 Ų, 4-二甲氨基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-二甲氨基苯甲酸 has 1 hydrogen bond donor(s) and 3 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 4-二甲氨基苯甲酸?
The CAS number of 4-二甲氨基苯甲酸 is 619-84-1.
What is the molecular formula of 4-二甲氨基苯甲酸?
The molecular formula of 4-二甲氨基苯甲酸 is C9H11NO2.
What is the molecular weight of 4-二甲氨基苯甲酸?
The molecular weight of 4-二甲氨基苯甲酸 is 165.08 g/mol.
Where can I buy 4-二甲氨基苯甲酸?
You can request a quote for 4-二甲氨基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-二甲氨基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-二甲氨基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.