methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate
TL;DR: methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate (CAS 101414-67-9) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate
Also Known As: N-(ethoxycarbonyl)-p-chlorobenzenesulfinamide, N-(ethoxycarbonyl)benzenesulfinimidomorpholide, N-(ethoxycarbonyl)benzenesulfinimidoyl chloride, methyl N-(p-nitrophenylthio)benzenecarboximidate, N-(ethoxycarbonyl)-p-chlorobenzenesulfinimidomorpholide
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 3.6951 |
| Topological Polar Surface Area | 64.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 612.076 |
Chemical Identifiers
| CAS Number | 101414-67-9 |
|---|---|
| SMILES | CO/C(=N/SC1=CC=C(C=C1)[N+](=O)[O-])/C2=CC=CC=C2 |
Product Overview
methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate (CAS 101414-67-9), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate.
Chemical Property Profile of methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate
Property Insights of methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate
The XLogP value of 3.6951 indicates that methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.73 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate. Following Lipinski's Rule of Five, methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate has 0 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 methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate?
The CAS number of methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate is 101414-67-9.
What is the molecular formula of methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate?
The molecular formula of methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate is C14H12N2O3S.
What is the molecular weight of methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate?
The molecular weight of methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate is 288.06 g/mol.
Where can I buy methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate?
You can request a quote for methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-N-(4-nitrophenyl)sulfanylbenzenecarboximidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.