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2-[4-(二甲氨基)苯甲酰基]苯甲酸
TL;DR: 2-[4-(二甲氨基)苯甲酰基]苯甲酸 (CAS 21528-31-4) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(二甲氨基)苯甲酰基]苯甲酸
2-[4-(dimethylamino)benzoyl]benzoic acid
Also Known As: 2-[4-(dimethylamino)benzoyl]benzoic acid, Benzoic acid, 2-[4-(dimethylamino)benzoyl]-, 4-Dimethylaminobenzoylbenzoesaure, 2-(4-(Dimethylamino)benzoyl)benzoic acid, 2-(4-dimethylaminobenzoyl)benzoic acid
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 21528-31-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | KAWOFQZCZFQCSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[4-(二甲氨基)苯甲酰基]苯甲酸 (CAS 21528-31-4), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 2-[4-(dimethylamino)benzoyl]benzoic acid.
Chemical Property Profile of 2-[4-(二甲氨基)苯甲酰基]苯甲酸
Property Insights of 2-[4-(二甲氨基)苯甲酰基]苯甲酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(二甲氨基)苯甲酰基]苯甲酸. With a topological polar surface area (TPSA) of 57.6 Ų, 2-[4-(二甲氨基)苯甲酰基]苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(二甲氨基)苯甲酰基]苯甲酸 has 1 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 2-[4-(二甲氨基)苯甲酰基]苯甲酸?
The CAS number of 2-[4-(二甲氨基)苯甲酰基]苯甲酸 is 21528-31-4.
What is the molecular formula of 2-[4-(二甲氨基)苯甲酰基]苯甲酸?
The molecular formula of 2-[4-(二甲氨基)苯甲酰基]苯甲酸 is C16H15NO3.
What is the molecular weight of 2-[4-(二甲氨基)苯甲酰基]苯甲酸?
The molecular weight of 2-[4-(二甲氨基)苯甲酰基]苯甲酸 is 269.11 g/mol.
Where can I buy 2-[4-(二甲氨基)苯甲酰基]苯甲酸?
You can request a quote for 2-[4-(二甲氨基)苯甲酰基]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 2-[4-(二甲氨基)苯甲酰基]苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(二甲氨基)苯甲酰基]苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.