3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid
TL;DR: 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid (CAS 878259-17-7) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoic acid
Also Known As: 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid, 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoic acid, 3-(3-ethyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propanoic acid, 3-(3-ethyl-2-oxo-benzoimidazol-1-yl)propanoic Acid, 3-(3-ETHYL-2-OXO-1,3-BENZODIAZOL-1-YL)PROPANOIC ACID
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 1.2976 |
| Topological Polar Surface Area | 64.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 609.7285 |
Chemical Identifiers
| CAS Number | 878259-17-7 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N(C1=O)CCC(=O)O |
Product Overview
3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid (CAS 878259-17-7), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoic acid.
Chemical Property Profile of 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid
Property Insights of 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid
The XLogP value of 1.2976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid. The TPSA of 64.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid has 1 hydrogen bond donor(s) and 2 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-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid?
The CAS number of 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid is 878259-17-7.
What is the molecular formula of 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid?
The molecular formula of 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid is C12H14N2O3.
What is the molecular weight of 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid?
The molecular weight of 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid is 234.10 g/mol.
Where can I buy 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid?
You can request a quote for 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.