1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)
TL;DR: 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl) (CAS 69181-11-9) is a chemical compound with molecular formula C21H24N4O5S2 and molecular weight 476.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methylpyrazole-3-carboxylic acid
Also Known As: 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl), 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methylpyrazole-3-carboxylic acid, 1-[4-(3-Cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinane-1-sulfonyl)phenyl]-5-methyl-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C21H24N4O5S2 |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.1188 |
| Heavy Atoms | 32 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 69181-11-9 |
|---|---|
| SMILES | CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)N3CCC(=O)N(C3=S)C4CCCCC4)C(=O)O |
| InChIKey | LAJBIKBNXJTOSX-UHFFFAOYSA-N |
Product Overview
1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl) (CAS 69181-11-9), with molecular formula C21H24N4O5S2 and molecular weight 476.12 g/mol. IUPAC: 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methylpyrazole-3-carboxylic acid.
Chemical Property Profile of 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)
Property Insights of 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)
The XLogP value of 3.0 indicates that 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl) has 1 hydrogen bond donor(s) and 7 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 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)?
The CAS number of 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl) is 69181-11-9.
What is the molecular formula of 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)?
The molecular formula of 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl) is C21H24N4O5S2.
What is the molecular weight of 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)?
The molecular weight of 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl) is 476.12 g/mol.
Where can I buy 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)?
You can request a quote for 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.