3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl-
TL;DR: 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl- (CAS 21769-53-9) is a chemical compound with molecular formula C17H21N3O2 and molecular weight 299.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-morpholin-4-ylethyl)-5-phenyl-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
Also Known As: 4-(2-Morpholinoethyl)-2-phenyl-3,4-diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholin-4-ylethyl)-2-phenyl-3,4-diazabicyclo[4.1.0]hept-2-en-5-one, Morpholinoethyl-4 oxo-5 phenyl-2 diaza-3,4 bicyclo(4.1.0)heptene-2 [French], 3,4-DIAZABICYCLO(4.1.0)HEPT-2-EN-5-ONE, 4-(2-MORPHOLINOETHYL)-2-PHENYL-, Morpholinoethyl-4 oxo-5 phenyl-2 diaza-3,4 bicyclo(4.1.0)heptene-2
| Molecular Formula | C17H21N3O2 |
|---|---|
| Molecular Weight | 299.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.1634 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 21769-53-9 |
|---|---|
| SMILES | C1COCCN1CCN2C(=O)C3CC3C(=N2)C4=CC=CC=C4 |
| InChIKey | YUQWDYVWUBNGBG-UHFFFAOYSA-N |
Product Overview
3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl- (CAS 21769-53-9), with molecular formula C17H21N3O2 and molecular weight 299.16 g/mol. IUPAC: 3-(2-morpholin-4-ylethyl)-5-phenyl-3,4-diazabicyclo[4.1.0]hept-4-en-2-one.
Chemical Property Profile of 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl-
Property Insights of 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl-. With a topological polar surface area (TPSA) of 45.1 Ų, 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl- has 0 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 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl-?
The CAS number of 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl- is 21769-53-9.
What is the molecular formula of 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl-?
The molecular formula of 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl- is C17H21N3O2.
What is the molecular weight of 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl-?
The molecular weight of 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl- is 299.16 g/mol.
Where can I buy 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl-?
You can request a quote for 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl- 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-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.