3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-
TL;DR: 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)- (CAS 85123-65-5) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3-dihydroindol-2-one
Also Known As: 2-(Indolin-2-on-5-yl)-3,4-diazabicyclo(4.1.0)hept-2-en-5-one, Pyridine,2-(3-bromobenzo[b]thien-2-yl), 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-, 5-(2,3-Dihydro-2-oxo-1H-indol-5-yl)-3,4-diazabicyclo(4.1.0)hept-4-en-2-one, 5-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3-dihydroindol-2-one
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 0.6512 |
| Topological Polar Surface Area | 70.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 620.6624 |
Chemical Identifiers
| CAS Number | 85123-65-5 |
|---|---|
| SMILES | C1C2C1C(=O)NN=C2C3=CC4=C(C=C3)NC(=O)C4 |
Product Overview
3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)- (CAS 85123-65-5), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: 5-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-1,3-dihydroindol-2-one.
Chemical Property Profile of 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-
Property Insights of 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-
The XLogP value of 0.6512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-. The TPSA of 70.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-. Following Lipinski's Rule of Five, 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)- 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 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-?
The CAS number of 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)- is 85123-65-5.
What is the molecular formula of 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-?
The molecular formula of 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)- is C13H11N3O2.
What is the molecular weight of 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-?
The molecular weight of 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)- is 241.09 g/mol.
Where can I buy 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-?
You can request a quote for 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diazabicyclo(4.1.0)hept-4-en-2-one, 5-(2,3-dihydro-2-oxo-1H-indol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.