11J-920
TL;DR: 11J-920 (CAS 477709-00-5) is a chemical compound with molecular formula C12H16BrClN4OS and molecular weight 377.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorothiophen-2-yl)-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone bromide
Also Known As: 11J-920, 1-(2-(3-Chloro-2-thienyl)-2-oxoethyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.1[3,7])decane bromide, 1-(3-chlorothiophen-2-yl)-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone;bromide, 1-[2-(3-chloro-2-thienyl)-2-oxoethyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1~3,7~]decane bromide, 1-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]-1,3,5,7-tetraazatricyclo[3.3.1.1^{3,7}]decan-1-ium bromide
| Molecular Formula | C12H16BrClN4OS |
|---|---|
| Molecular Weight | 377.99 g/mol |
| LogP | -1.9032 |
| Topological Polar Surface Area | 26.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.99167 |
| Heavy Atoms | 20 |
| Complexity | 501.9977 |
Chemical Identifiers
| CAS Number | 477709-00-5 |
|---|---|
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CC(=O)C4=C(C=CS4)Cl.[Br-] |
Product Overview
11J-920 (CAS 477709-00-5), with molecular formula C12H16BrClN4OS and molecular weight 377.99 g/mol. IUPAC: 1-(3-chlorothiophen-2-yl)-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone bromide.
Chemical Property Profile of 11J-920
Property Insights of 11J-920
The XLogP value of -1.9032 indicates that 11J-920 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.79 Ų, 11J-920 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11J-920 has 0 hydrogen bond donor(s) and 5 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 11J-920?
The CAS number of 11J-920 is 477709-00-5.
What is the molecular formula of 11J-920?
The molecular formula of 11J-920 is C12H16BrClN4OS.
What is the molecular weight of 11J-920?
The molecular weight of 11J-920 is 377.99 g/mol.
Where can I buy 11J-920?
You can request a quote for 11J-920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11J-920?
Yes, KEHONG BIO provides custom synthesis services for 11J-920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.