1K-906
TL;DR: 1K-906 (CAS 477864-87-2) is a chemical compound with molecular formula C22H24ClF3N4O3 and molecular weight 484.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-5-yl]methanone
Also Known As: 1K-906, {4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}[3-(4-methoxyphenyl)-2-methyltetrahydro-5-isoxazolyl]methanone, [4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-5-yl]methanone, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidine-5-carbonyl]piperazine
| Molecular Formula | C22H24ClF3N4O3 |
|---|---|
| Molecular Weight | 484.15 g/mol |
| LogP | 3.788 |
| Topological Polar Surface Area | 58.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.1489 |
| Heavy Atoms | 33 |
| Complexity | 997.37085 |
Chemical Identifiers
| CAS Number | 477864-87-2 |
|---|---|
| SMILES | CN1C(CC(O1)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C4=CC=C(C=C4)OC |
Product Overview
1K-906 (CAS 477864-87-2), with molecular formula C22H24ClF3N4O3 and molecular weight 484.15 g/mol. IUPAC: [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-5-yl]methanone.
Chemical Property Profile of 1K-906
Property Insights of 1K-906
The XLogP value of 3.788 indicates that 1K-906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.14 Ų, 1K-906 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1K-906 has 0 hydrogen bond donor(s) and 6 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 1K-906?
The CAS number of 1K-906 is 477864-87-2.
What is the molecular formula of 1K-906?
The molecular formula of 1K-906 is C22H24ClF3N4O3.
What is the molecular weight of 1K-906?
The molecular weight of 1K-906 is 484.15 g/mol.
Where can I buy 1K-906?
You can request a quote for 1K-906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1K-906?
Yes, KEHONG BIO provides custom synthesis services for 1K-906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.