Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate
TL;DR: Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate (CAS 307325-59-3) is a chemical compound with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[4-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]carbamate
Also Known As: p-[(m-nitrobenzoyl)methylthio]phenyl methanecarbamate, methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate, METHYL N-(4-{[2-(3-NITROPHENYL)-2-OXOETHYL]SULFANYL}PHENYL)CARBAMATE, methyl N-[4-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]carbamate, methoxy-N-{4-[2-(3-nitrophenyl)-2-oxoethylthio]phenyl}carboxamide
| Molecular Formula | C16H14N2O5S |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 3.7481 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.06235 |
| Heavy Atoms | 24 |
| Complexity | 761.318 |
Chemical Identifiers
| CAS Number | 307325-59-3 |
|---|---|
| SMILES | COC(=O)NC1=CC=C(C=C1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate (CAS 307325-59-3), with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol. IUPAC: methyl N-[4-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]carbamate.
Chemical Property Profile of Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate
Property Insights of Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate
The XLogP value of 3.7481 indicates that Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate. Following Lipinski's Rule of Five, Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate has 1 hydrogen bond donor(s) and 6 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 (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate?
The CAS number of Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate is 307325-59-3.
What is the molecular formula of Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate?
The molecular formula of Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate is C16H14N2O5S.
What is the molecular weight of Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate?
The molecular weight of Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate is 346.06 g/mol.
Where can I buy Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate?
You can request a quote for Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-((2-(3-nitrophenyl)-2-oxoethyl)thio)phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.