5-(dibutyl-
TL;DR: 5-(dibutyl- (CAS 474263-05-3) is a chemical compound with molecular formula C20H27FN2O3S and molecular weight 394.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dibutyl-λ4-sulfanylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
Also Known As: 5-(dibutyl-, 5-(dibutylsulfonio)-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinolate, 5-(dibutylsulfaniumyl)-1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ide, 5-(dibutylsulfonio)-1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxohexahydropyrimidin-5-ide
| Molecular Formula | C20H27FN2O3S |
|---|---|
| Molecular Weight | 394.17 g/mol |
| LogP | 3.4881 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 394.17264 |
| Heavy Atoms | 27 |
| Complexity | 721.2473 |
Chemical Identifiers
| CAS Number | 474263-05-3 |
|---|---|
| SMILES | CCCCS(=C1C(=O)NC(=O)N(C1=O)CCC2=CC=C(C=C2)F)CCCC |
Product Overview
5-(dibutyl- (CAS 474263-05-3), with molecular formula C20H27FN2O3S and molecular weight 394.17 g/mol. IUPAC: 5-(dibutyl-λ4-sulfanylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(dibutyl-
Property Insights of 5-(dibutyl-
The XLogP value of 3.4881 indicates that 5-(dibutyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(dibutyl-. Following Lipinski's Rule of Five, 5-(dibutyl- has 1 hydrogen bond donor(s) and 3 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 5-(dibutyl-?
The CAS number of 5-(dibutyl- is 474263-05-3.
What is the molecular formula of 5-(dibutyl-?
The molecular formula of 5-(dibutyl- is C20H27FN2O3S.
What is the molecular weight of 5-(dibutyl-?
The molecular weight of 5-(dibutyl- is 394.17 g/mol.
Where can I buy 5-(dibutyl-?
You can request a quote for 5-(dibutyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(dibutyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-(dibutyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.