5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one
TL;DR: 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one (CAS 470661-04-2) is a chemical compound with molecular formula C8H11NO and molecular weight 137.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yl-2-azabicyclo[2.2.0]hex-5-en-3-one
Also Known As: 2-Isopropyl-2-azabicyclo[2.2.0]hex-5-en-3-one, 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one, 2-Isopropyl-2-azabicyclo[2.2.0]hex-5-en-3-one #, 3-propan-2-yl-3-azabicyclo[2.2.0]hex-5-en-2-one, 2-Azabicyclo[2.2.0]hex-5-en-3-one, 2-(1-methylethyl)-, (+)- (9CI)
| Molecular Formula | C8H11NO |
|---|---|
| Molecular Weight | 137.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.08406 |
| Heavy Atoms | 10 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 470661-04-2 |
|---|---|
| SMILES | CC(C)N1C2C=CC2C1=O |
| InChIKey | XSKYBQAEEJMMIB-UHFFFAOYSA-N |
Product Overview
5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one (CAS 470661-04-2), with molecular formula C8H11NO and molecular weight 137.08 g/mol. IUPAC: 2-propan-2-yl-2-azabicyclo[2.2.0]hex-5-en-3-one.
Chemical Property Profile of 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one
Property Insights of 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one. With a topological polar surface area (TPSA) of 20.3 Ų, 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one has 0 hydrogen bond donor(s) and 1 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 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one?
The CAS number of 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one is 470661-04-2.
What is the molecular formula of 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one?
The molecular formula of 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one is C8H11NO.
What is the molecular weight of 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one?
The molecular weight of 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one is 137.08 g/mol.
Where can I buy 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one?
You can request a quote for 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Isopropyl-5-azabicyclo(2.2.0)hex-2-ene-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.