1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-
TL;DR: 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)- (CAS 1228-27-9) is a chemical compound with molecular formula C18H27NOS and molecular weight 305.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-azaspiro[5.5]undecan-3-yl)-1-thiophen-2-ylbutan-1-one
Also Known As: 5-20-04-00423 (Beilstein Handbook Reference), 1-BUTANONE, 4-(3-AZASPIRO(5.5)UNDEC-3-YL)-1-(2-THIENYL)-, 4-(3-Azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-1-butanone, 4-(3-Azaspiro[5.5]undec-3-yl)-1-(2-thienyl)-1-butanone, 4-(9-azaspiro[5.5]undecan-9-yl)-1-thiophen-2-ylbutan-1-one
| Molecular Formula | C18H27NOS |
|---|---|
| Molecular Weight | 305.18 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.18134 |
| Heavy Atoms | 21 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 1228-27-9 |
|---|---|
| SMILES | C1CCC2(CC1)CCN(CC2)CCCC(=O)C3=CC=CS3 |
| InChIKey | ZPERBBJJOARZRB-UHFFFAOYSA-N |
Product Overview
1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)- (CAS 1228-27-9), with molecular formula C18H27NOS and molecular weight 305.18 g/mol. IUPAC: 4-(3-azaspiro[5.5]undecan-3-yl)-1-thiophen-2-ylbutan-1-one.
Chemical Property Profile of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-
Property Insights of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-
The XLogP value of 5.0 indicates that 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.6 Ų, 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)- 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 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-?
The CAS number of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)- is 1228-27-9.
What is the molecular formula of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-?
The molecular formula of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)- is C18H27NOS.
What is the molecular weight of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-?
The molecular weight of 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)- is 305.18 g/mol.
Where can I buy 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-?
You can request a quote for 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.