CTK5F4771
TL;DR: CTK5F4771 (CAS 85337-29-7) is a chemical compound with molecular formula C21H30N4O3S and molecular weight 418.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]but-2-enamide
Also Known As: 1-((4-(2-3-cyclohexyl-2-iminoimidazolidine, 2-Butenamide,N-[2-[4-[(3-cyclohexyl-2-imino-1-imidazolidinyl)sulfonyl]phenyl]ethyl]-, N-[2-[4-(3-Cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]but-2-enamide
| Molecular Formula | C21H30N4O3S |
|---|---|
| Molecular Weight | 418.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.20386 |
| Heavy Atoms | 29 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 85337-29-7 |
|---|---|
| SMILES | CC=CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2=N)C3CCCCC3 |
| InChIKey | OSLWHOALCCNLIC-UHFFFAOYSA-N |
Product Overview
CTK5F4771 (CAS 85337-29-7), with molecular formula C21H30N4O3S and molecular weight 418.20 g/mol. IUPAC: N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]but-2-enamide.
Chemical Property Profile of CTK5F4771
Property Insights of CTK5F4771
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5F4771. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5F4771. Following Lipinski's Rule of Five, CTK5F4771 has 2 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 CTK5F4771?
The CAS number of CTK5F4771 is 85337-29-7.
What is the molecular formula of CTK5F4771?
The molecular formula of CTK5F4771 is C21H30N4O3S.
What is the molecular weight of CTK5F4771?
The molecular weight of CTK5F4771 is 418.20 g/mol.
Where can I buy CTK5F4771?
You can request a quote for CTK5F4771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5F4771?
Yes, KEHONG BIO provides custom synthesis services for CTK5F4771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.