2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate
TL;DR: 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate (CAS 329079-11-0) is a chemical compound with molecular formula C18H19NO4S2 and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyclohexylsulfanyl-5-nitrophenyl)methyl thiophene-2-carboxylate
Also Known As: 2-(cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate, [2-(cyclohexylsulfanyl)-5-nitrophenyl]methyl thiophene-2-carboxylate, (2-cyclohexylsulfanyl-5-nitrophenyl)methyl thiophene-2-carboxylate, (2-cyclohexylthio-5-nitrophenyl)methyl thiophene-2-carboxylate, (2-cyclohexylsulfanyl-5-nitro-phenyl)methyl thiophene-2-carboxylate
| Molecular Formula | C18H19NO4S2 |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 5.4381 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.07556 |
| Heavy Atoms | 25 |
| Complexity | 739.53925 |
Chemical Identifiers
| CAS Number | 329079-11-0 |
|---|---|
| SMILES | C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)C3=CC=CS3 |
Product Overview
2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate (CAS 329079-11-0), with molecular formula C18H19NO4S2 and molecular weight 377.08 g/mol. IUPAC: (2-cyclohexylsulfanyl-5-nitrophenyl)methyl thiophene-2-carboxylate.
Chemical Property Profile of 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate
Property Insights of 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate
The XLogP value of 5.4381 indicates that 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate. Following Lipinski's Rule of Five, 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate 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-nitrobenzyl 2-thiophenecarboxylate?
The CAS number of 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate is 329079-11-0.
What is the molecular formula of 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate?
The molecular formula of 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate is C18H19NO4S2.
What is the molecular weight of 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate?
The molecular weight of 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate is 377.08 g/mol.
Where can I buy 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate?
You can request a quote for 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate 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-nitrobenzyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclohexylsulfanyl)-5-nitrobenzyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.