RefChem:345870
TL;DR: RefChem:345870 (CAS 5843-58-3) is a chemical compound with molecular formula C22H31F3N2O4S and molecular weight 476.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexylsulfamate;furan-2-ylmethyl-methyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
Also Known As: Furfurylamine, N-methyl-N-(alpha-methyl-m-(trifluoromethyl)phenethyl)-, cyclohexanesulfamate (+-)-, N-Methyl-N-(alpha-methyl-m-(trifluoromethyl)phenethyl)furfurylamine cyclohexanesulfamate, N-cyclohexylsulfamate;furan-2-ylmethyl-methyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium, N-cyclohexylsulfamate; furan-2-ylmethyl-methyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium, RefChem:345870
| Molecular Formula | C22H31F3N2O4S |
|---|---|
| Molecular Weight | 476.20 g/mol |
| LogP | 3.31 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.19565 |
| Heavy Atoms | 32 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 5843-58-3 |
|---|---|
| SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)[NH+](C)CC2=CC=CO2.C1CCC(CC1)NS(=O)(=O)[O-] |
| InChIKey | PWABCUPBJMUTBQ-UHFFFAOYSA-N |
Product Overview
RefChem:345870 (CAS 5843-58-3), with molecular formula C22H31F3N2O4S and molecular weight 476.20 g/mol. IUPAC: N-cyclohexylsulfamate;furan-2-ylmethyl-methyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium.
Chemical Property Profile of RefChem:345870
Property Insights of RefChem:345870
The XLogP value of 3.31 indicates that RefChem:345870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:345870. Following Lipinski's Rule of Five, RefChem:345870 has 2 hydrogen bond donor(s) and 8 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 RefChem:345870?
The CAS number of RefChem:345870 is 5843-58-3.
What is the molecular formula of RefChem:345870?
The molecular formula of RefChem:345870 is C22H31F3N2O4S.
What is the molecular weight of RefChem:345870?
The molecular weight of RefChem:345870 is 476.20 g/mol.
Where can I buy RefChem:345870?
You can request a quote for RefChem:345870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345870?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.