2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid
TL;DR: 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid (CAS 394655-18-6) is a chemical compound with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid
Also Known As: starbld0027690, 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid, 4-FURAN-2-YL-1H-BENZO[B][1,4]DIAZEPINE-2-CARBOXYLIC ACID, 4-(2-Furanyl)-1H-1,5-benzodiazepine-2-carboxylic acid, 4-(2-Furyl)-1H-1,5-benzodiazepine-2-carboxylic acid
| Molecular Formula | C14H10N2O3 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 2.9033 |
| Topological Polar Surface Area | 74.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.06914 |
| Heavy Atoms | 19 |
| Complexity | 684.47644 |
Chemical Identifiers
| CAS Number | 394655-18-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=CC(=N2)C(=O)O)C3=CC=CO3 |
Product Overview
2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid (CAS 394655-18-6), with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol. IUPAC: 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid.
Chemical Property Profile of 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid
Property Insights of 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid
The XLogP value of 2.9033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid. The TPSA of 74.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid. Following Lipinski's Rule of Five, 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid has 2 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-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid?
The CAS number of 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid is 394655-18-6.
What is the molecular formula of 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid?
The molecular formula of 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid is C14H10N2O3.
What is the molecular weight of 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid?
The molecular weight of 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid is 254.07 g/mol.
Where can I buy 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid?
You can request a quote for 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(furan-2-yl)-1H-1,5-benzodiazepine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.