4-(二乙氨基)苯甲酸
TL;DR: 4-(二乙氨基)苯甲酸 (CAS 5429-28-7) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(二乙氨基)苯甲酸
4-(diethylamino)benzoic acid
Also Known As: 4-(Diethylamino)benzoic acid, 4-Diethylaminobenzoic Acid, Benzoic acid, 4-(diethylamino)-, p-(Diethylamino)benzoic acid, diethylaminobenzoic acid
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 5429-28-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=O)O |
| InChIKey | LNYTUARMNSFFBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(二乙氨基)苯甲酸 (CAS 5429-28-7), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 4-(diethylamino)benzoic acid.
Chemical Property Profile of 4-(二乙氨基)苯甲酸
Property Insights of 4-(二乙氨基)苯甲酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(二乙氨基)苯甲酸. With a topological polar surface area (TPSA) of 40.5 Ų, 4-(二乙氨基)苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(二乙氨基)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-(二乙氨基)苯甲酸?
The CAS number of 4-(二乙氨基)苯甲酸 is 5429-28-7.
What is the molecular formula of 4-(二乙氨基)苯甲酸?
The molecular formula of 4-(二乙氨基)苯甲酸 is C11H15NO2.
What is the molecular weight of 4-(二乙氨基)苯甲酸?
The molecular weight of 4-(二乙氨基)苯甲酸 is 193.11 g/mol.
Where can I buy 4-(二乙氨基)苯甲酸?
You can request a quote for 4-(二乙氨基)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-(二乙氨基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(二乙氨基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.