12F-046
TL;DR: 12F-046 (CAS 317377-58-5) is a chemical compound with molecular formula C11H10BrCl3N2OS and molecular weight 401.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-[1-methyl-4-(2-methyl-1,3-thiazol-3-ium-4-yl)pyrrol-2-yl]ethanone bromide
Also Known As: 12F-046, 2-methyl-4-[1-methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-1,3-thiazol-3-ium bromide, 2,2,2-trichloro-1-[1-methyl-4-(2-methyl-3H-1,3-thiazol-4-yl)pyrrol-2-yl]ethanone Bromide, 2,2,2-trichloro-1-[1-methyl-4-(2-methyl-1,3-thiazol-3-ium-4-yl)pyrrol-2-yl]ethanone bromide, 2,2,2-trichloro-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]ethan-1-one hydrobromide
| Molecular Formula | C11H10BrCl3N2OS |
|---|---|
| Molecular Weight | 401.88 g/mol |
| LogP | 0.43302 |
| Topological Polar Surface Area | 36.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.87628 |
| Heavy Atoms | 19 |
| Complexity | 603.3474 |
Chemical Identifiers
| CAS Number | 317377-58-5 |
|---|---|
| SMILES | CC1=[NH+]C(=CS1)C2=CN(C(=C2)C(=O)C(Cl)(Cl)Cl)C.[Br-] |
Product Overview
12F-046 (CAS 317377-58-5), with molecular formula C11H10BrCl3N2OS and molecular weight 401.88 g/mol. IUPAC: 2,2,2-trichloro-1-[1-methyl-4-(2-methyl-1,3-thiazol-3-ium-4-yl)pyrrol-2-yl]ethanone bromide.
Chemical Property Profile of 12F-046
Property Insights of 12F-046
The XLogP value of 0.43302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12F-046. With a topological polar surface area (TPSA) of 36.14 Ų, 12F-046 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12F-046 has 0 hydrogen bond donor(s) and 2 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 12F-046?
The CAS number of 12F-046 is 317377-58-5.
What is the molecular formula of 12F-046?
The molecular formula of 12F-046 is C11H10BrCl3N2OS.
What is the molecular weight of 12F-046?
The molecular weight of 12F-046 is 401.88 g/mol.
Where can I buy 12F-046?
You can request a quote for 12F-046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12F-046?
Yes, KEHONG BIO provides custom synthesis services for 12F-046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.