1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide
TL;DR: 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide (CAS 36469-01-9) is a chemical compound with molecular formula C12H18BrNO2S and molecular weight 319.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-yl-1-thiophen-3-ylbutan-1-one;hydrobromide
Also Known As: 5-n-Butyl-2-methylolpyridin, 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide, 4-Morpholino-1-(3-thienyl)-1-butanone hydrobromide, (Thienyl-3)(3-N-morpholinopropyl)ketone hydrobromide, 4-morpholin-4-yl-1-thiophen-3-ylbutan-1-one,hydrobromide
| Molecular Formula | C12H18BrNO2S |
|---|---|
| Molecular Weight | 319.02 g/mol |
| LogP | 2.6211 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.02417 |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 36469-01-9 |
|---|---|
| SMILES | C1COCCN1CCCC(=O)C2=CSC=C2.Br |
| InChIKey | WSDOYOBRIBCBLK-UHFFFAOYSA-N |
Product Overview
1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide (CAS 36469-01-9), with molecular formula C12H18BrNO2S and molecular weight 319.02 g/mol. IUPAC: 4-morpholin-4-yl-1-thiophen-3-ylbutan-1-one;hydrobromide.
Chemical Property Profile of 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide
Property Insights of 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide
The XLogP value of 2.6211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide. With a topological polar surface area (TPSA) of 57.8 Ų, 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide has 1 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 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide?
The CAS number of 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide is 36469-01-9.
What is the molecular formula of 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide?
The molecular formula of 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide is C12H18BrNO2S.
What is the molecular weight of 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide?
The molecular weight of 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide is 319.02 g/mol.
Where can I buy 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide?
You can request a quote for 1-Butanone, 4-morpholino-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-morpholino-1-(3-thienyl)-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 4-morpholino-1-(3-thienyl)-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.