![3-[(二乙氨基)羰基]苯甲酸 structure](/static/products/7223/72236-23-8.webp)
3-[(二乙氨基)羰基]苯甲酸
TL;DR: 3-[(二乙氨基)羰基]苯甲酸 (CAS 72236-23-8) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(二乙氨基)羰基]苯甲酸
3-(diethylcarbamoyl)benzoic acid
Also Known As: 3-(diethylcarbamoyl)benzoic acid, DCBA, DEET-Carboxylic Acid, DCBA?, DEET ?-Carboxylic Acid
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 72236-23-8 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC(=CC=C1)C(=O)O |
| InChIKey | PXXLQQDIFVPNMP-UHFFFAOYSA-N |
Product Overview
3-[(二乙氨基)羰基]苯甲酸 (CAS 72236-23-8), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 3-(diethylcarbamoyl)benzoic acid.
Chemical Property Profile of 3-[(二乙氨基)羰基]苯甲酸
Property Insights of 3-[(二乙氨基)羰基]苯甲酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(二乙氨基)羰基]苯甲酸. With a topological polar surface area (TPSA) of 57.6 Ų, 3-[(二乙氨基)羰基]苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(二乙氨基)羰基]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 3-[(二乙氨基)羰基]苯甲酸?
The CAS number of 3-[(二乙氨基)羰基]苯甲酸 is 72236-23-8.
What is the molecular formula of 3-[(二乙氨基)羰基]苯甲酸?
The molecular formula of 3-[(二乙氨基)羰基]苯甲酸 is C12H15NO3.
What is the molecular weight of 3-[(二乙氨基)羰基]苯甲酸?
The molecular weight of 3-[(二乙氨基)羰基]苯甲酸 is 221.11 g/mol.
Where can I buy 3-[(二乙氨基)羰基]苯甲酸?
You can request a quote for 3-[(二乙氨基)羰基]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-[(二乙氨基)羰基]苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-[(二乙氨基)羰基]苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.