Cgp 11,112
TL;DR: Cgp 11,112 (CAS 85390-06-3) 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.
(E)-N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]but-2-enamide
Also Known As: 1-Capsi, Cgp 11,112, -n-[2-[4-[sulfonyl]phenyl]ethyl]-2-butenamide, 1-((4-(2- -3-cyclohexyl-2-iminoimidazolidine, -N-[2-[4-[ sulfonyl]phenyl]ethyl]-2-butenamide
| Molecular Formula | C21H30N4O3S |
|---|---|
| Molecular Weight | 418.20 g/mol |
| LogP | 2.49517 |
| Topological Polar Surface Area | 93.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.20386 |
| Heavy Atoms | 29 |
| Complexity | 858.41736 |
Chemical Identifiers
| CAS Number | 85390-06-3 |
|---|---|
| SMILES | C/C=C/C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2=N)C3CCCCC3 |
Product Overview
Cgp 11,112 (CAS 85390-06-3), with molecular formula C21H30N4O3S and molecular weight 418.20 g/mol. IUPAC: (E)-N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]but-2-enamide.
Chemical Property Profile of Cgp 11,112
Property Insights of Cgp 11,112
The XLogP value of 2.49517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cgp 11,112. The TPSA of 93.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Cgp 11,112. Following Lipinski's Rule of Five, Cgp 11,112 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 Cgp 11,112?
The CAS number of Cgp 11,112 is 85390-06-3.
What is the molecular formula of Cgp 11,112?
The molecular formula of Cgp 11,112 is C21H30N4O3S.
What is the molecular weight of Cgp 11,112?
The molecular weight of Cgp 11,112 is 418.20 g/mol.
Where can I buy Cgp 11,112?
You can request a quote for Cgp 11,112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cgp 11,112?
Yes, KEHONG BIO provides custom synthesis services for Cgp 11,112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.