1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide
TL;DR: 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide (CAS 36484-54-5) is a chemical compound with molecular formula C13H20BrNOS and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-piperidin-1-yl-1-thiophen-3-ylbutan-1-one;hydrobromide
Also Known As: 4-Piperidino-1-(3-thienyl)-1-butanone hydrobromide, 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide, (Thienyl-3)(3-N-piperidinopropyl)ketone hydrobromide, 4-(piperidin-1-yl)-1-(thiophen-3-yl)butan-1-one hydrobromide(1:1), 4-piperidin-1-yl-1-thiophen-3-ylbutan-1-one hydrobromide
| Molecular Formula | C13H20BrNOS |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 3.7748 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.0449 |
| Heavy Atoms | 17 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 36484-54-5 |
|---|---|
| SMILES | C1CCN(CC1)CCCC(=O)C2=CSC=C2.Br |
| InChIKey | IGAJGZDDIOOIAI-UHFFFAOYSA-N |
Product Overview
1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide (CAS 36484-54-5), with molecular formula C13H20BrNOS and molecular weight 317.04 g/mol. IUPAC: 4-piperidin-1-yl-1-thiophen-3-ylbutan-1-one;hydrobromide.
Chemical Property Profile of 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide
Property Insights of 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide
The XLogP value of 3.7748 indicates that 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide 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-piperidino-1-(3-thienyl)-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide has 1 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-piperidino-1-(3-thienyl)-, hydrobromide?
The CAS number of 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide is 36484-54-5.
What is the molecular formula of 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide?
The molecular formula of 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide is C13H20BrNOS.
What is the molecular weight of 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide?
The molecular weight of 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide is 317.04 g/mol.
Where can I buy 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide?
You can request a quote for 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide 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-piperidino-1-(3-thienyl)-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 4-piperidino-1-(3-thienyl)-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.