4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether
TL;DR: 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether (CAS 49828-23-1) is a chemical compound with molecular formula C16H17NO3S and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(4-nitrophenoxy)-2-propylsulfanylbenzene
Also Known As: MPNE, 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether, 1-methyl-4-(4-nitrophenoxy)-2-propylsulfanylbenzene, Benzene, 1-methyl-4-(4-nitrophenoxy)-2-(propylthio)-, 1-METHYL-4-(4-NITROPHENOXY)-2-(PROPYLSULFANYL)BENZENE
| Molecular Formula | C16H17NO3S |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 5.19762 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.09293 |
| Heavy Atoms | 21 |
| Complexity | 625.91925 |
Chemical Identifiers
| CAS Number | 49828-23-1 |
|---|---|
| SMILES | CCCSC1=C(C=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether (CAS 49828-23-1), with molecular formula C16H17NO3S and molecular weight 303.09 g/mol. IUPAC: 1-methyl-4-(4-nitrophenoxy)-2-propylsulfanylbenzene.
Chemical Property Profile of 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether
Property Insights of 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether
The XLogP value of 5.19762 indicates that 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether?
The CAS number of 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether is 49828-23-1.
What is the molecular formula of 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether?
The molecular formula of 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether is C16H17NO3S.
What is the molecular weight of 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether?
The molecular weight of 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether is 303.09 g/mol.
Where can I buy 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether?
You can request a quote for 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-(n-propylthio)phenyl 4-nitrophenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.