RefChem:345867
TL;DR: RefChem:345867 (CAS 5843-56-1) is a chemical compound with molecular formula C21H31ClN2O4S and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)propan-2-yl-(furan-2-ylmethyl)-methylazanium;N-cyclohexylsulfamate
Also Known As: N-(p-Chloro-alpha-methylphenethyl)-N-methylfurfurylamine cyclohexanesulfamate, Furfurylamine, N-(p-chloro-alpha-methylphenethyl)-N-methyl-, cyclohexanesulfamate, (+-)-, 1-(4-chlorophenyl)propan-2-yl-(furan-2-ylmethyl)-methylazanium; N-cyclohexylsulfamate, FURFURYLAMINE, N-(p-CHLORO-alpha-METHYLPHENETHYL)-N-METHYL-, CYCLOHEXANESULFAMAT, RefChem:345867
| Molecular Formula | C21H31ClN2O4S |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 2.95 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.1693 |
| Heavy Atoms | 29 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 5843-56-1 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)Cl)[NH+](C)CC2=CC=CO2.C1CCC(CC1)NS(=O)(=O)[O-] |
| InChIKey | YUGQEQKGOBANEY-UHFFFAOYSA-N |
Product Overview
RefChem:345867 (CAS 5843-56-1), with molecular formula C21H31ClN2O4S and molecular weight 442.17 g/mol. IUPAC: 1-(4-chlorophenyl)propan-2-yl-(furan-2-ylmethyl)-methylazanium;N-cyclohexylsulfamate.
Chemical Property Profile of RefChem:345867
Property Insights of RefChem:345867
The XLogP value of 2.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:345867. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:345867. Following Lipinski's Rule of Five, RefChem:345867 has 2 hydrogen bond donor(s) and 5 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:345867?
The CAS number of RefChem:345867 is 5843-56-1.
What is the molecular formula of RefChem:345867?
The molecular formula of RefChem:345867 is C21H31ClN2O4S.
What is the molecular weight of RefChem:345867?
The molecular weight of RefChem:345867 is 442.17 g/mol.
Where can I buy RefChem:345867?
You can request a quote for RefChem:345867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345867?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.