![[(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate structure](/static/products/3314/331461-98-4.webp)
[(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate
TL;DR: [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate (CAS 331461-98-4) is a chemical compound with molecular formula C20H19ClN2O4S and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate
Also Known As: [(2-cyclohexylsulfanyl-5-nitro-phenyl)methylideneamino] 4-chlorobenzoate, [(2-cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate, 2-({[(4-chlorobenzoyl)oxy]imino}methyl)-1-(cyclohexylsulfanyl)-4-nitrobenzene
| Molecular Formula | C20H19ClN2O4S |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 5.8639 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.0754 |
| Heavy Atoms | 28 |
| Complexity | 880.2745 |
Chemical Identifiers
| CAS Number | 331461-98-4 |
|---|---|
| SMILES | C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NOC(=O)C3=CC=C(C=C3)Cl |
Product Overview
[(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate (CAS 331461-98-4), with molecular formula C20H19ClN2O4S and molecular weight 418.08 g/mol. IUPAC: [(2-cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate.
Chemical Property Profile of [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate
Property Insights of [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate
The XLogP value of 5.8639 indicates that [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate. Following Lipinski's Rule of Five, [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate?
The CAS number of [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate is 331461-98-4.
What is the molecular formula of [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate?
The molecular formula of [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate is C20H19ClN2O4S.
What is the molecular weight of [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate?
The molecular weight of [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate is 418.08 g/mol.
Where can I buy [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate?
You can request a quote for [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2-Cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.