3-(乙氨基甲酰基)苯甲酸
TL;DR: 3-(乙氨基甲酰基)苯甲酸 (CAS 126926-33-8) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(乙氨基甲酰基)苯甲酸
3-(ethylcarbamoyl)benzoic acid
Also Known As: 3-(ethylcarbamoyl)benzoic acid, N-Ethylisophthalamic acid, N-Ethyl Benzamid-3-carboxylate, Benzoic acid, 3-((ethylamino)carbonyl)-, m-((Ethylamino)carbonyl)benzoic acid
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 126926-33-8 |
|---|---|
| SMILES | CCNC(=O)C1=CC(=CC=C1)C(=O)O |
| InChIKey | KLAYVYFJJVHZEM-UHFFFAOYSA-N |
Product Overview
3-(乙氨基甲酰基)苯甲酸 (CAS 126926-33-8), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 3-(ethylcarbamoyl)benzoic acid.
Chemical Property Profile of 3-(乙氨基甲酰基)苯甲酸
Property Insights of 3-(乙氨基甲酰基)苯甲酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(乙氨基甲酰基)苯甲酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(乙氨基甲酰基)苯甲酸. Following Lipinski's Rule of Five, 3-(乙氨基甲酰基)苯甲酸 has 2 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-(乙氨基甲酰基)苯甲酸?
The CAS number of 3-(乙氨基甲酰基)苯甲酸 is 126926-33-8.
What is the molecular formula of 3-(乙氨基甲酰基)苯甲酸?
The molecular formula of 3-(乙氨基甲酰基)苯甲酸 is C10H11NO3.
What is the molecular weight of 3-(乙氨基甲酰基)苯甲酸?
The molecular weight of 3-(乙氨基甲酰基)苯甲酸 is 193.07 g/mol.
Where can I buy 3-(乙氨基甲酰基)苯甲酸?
You can request a quote for 3-(乙氨基甲酰基)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 3-(乙氨基甲酰基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(乙氨基甲酰基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.