(2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate
TL;DR: (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate (CAS 329928-95-2) is a chemical compound with molecular formula C22H23NO4S and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate
Also Known As: 2-(cyclohexylsulfanyl)-5-nitrobenzyl 3-phenylacrylate, (2-cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate
| Molecular Formula | C22H23NO4S |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 5.7762 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.13477 |
| Heavy Atoms | 28 |
| Complexity | 844.8702 |
Chemical Identifiers
| CAS Number | 329928-95-2 |
|---|---|
| SMILES | C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)C=CC3=CC=CC=C3 |
Product Overview
(2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate (CAS 329928-95-2), with molecular formula C22H23NO4S and molecular weight 397.13 g/mol. IUPAC: (2-cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate.
Chemical Property Profile of (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate
Property Insights of (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate
The XLogP value of 5.7762 indicates that (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate 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-nitrophenyl)methyl 3-phenylprop-2-enoate. Following Lipinski's Rule of Five, (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate has 0 hydrogen bond donor(s) and 5 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)methyl 3-phenylprop-2-enoate?
The CAS number of (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate is 329928-95-2.
What is the molecular formula of (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate?
The molecular formula of (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate is C22H23NO4S.
What is the molecular weight of (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate?
The molecular weight of (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate is 397.13 g/mol.
Where can I buy (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate?
You can request a quote for (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate 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)methyl 3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Cyclohexylsulfanyl-5-nitrophenyl)methyl 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.