![2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)- structure](/static/products/1413/141345-99-5.webp)
2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-
TL;DR: 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)- (CAS 141345-99-5) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)butan-2-one
Also Known As: 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)butan-2-one, 4-(7-oxa-6-azaspiro[2.4]hept-5-en-5-yl)butan-2-one, 4-[4-Oxa-5-azaspiro[2.4]hept-5-en-6-yl]-2-butanone, 4-{4-OXA-5-AZASPIRO[2.4]HEPT-5-EN-6-YL}BUTAN-2-ONE
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 1.6645 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 240.91309 |
Chemical Identifiers
| CAS Number | 141345-99-5 |
|---|---|
| SMILES | CC(=O)CCC1=NOC2(C1)CC2 |
Product Overview
2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)- (CAS 141345-99-5), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)butan-2-one.
Chemical Property Profile of 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-
Property Insights of 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-
The XLogP value of 1.6645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-. With a topological polar surface area (TPSA) of 38.66 Ų, 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)- has 0 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 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-?
The CAS number of 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)- is 141345-99-5.
What is the molecular formula of 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-?
The molecular formula of 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)- is C9H13NO2.
What is the molecular weight of 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-?
The molecular weight of 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)- is 167.09 g/mol.
Where can I buy 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-?
You can request a quote for 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.