![Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]- structure](/static/products/127/127865-40-1.png)
Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]-
TL;DR: Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]- (CAS 127865-40-1) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene
Also Known As: 2-(allylthio)-2-(4-methoxyphenyl)-1-nitroethane, 1-[1-(Allylsulfanyl)-2-nitroethyl]-4-methoxybenzene, Allyl[1-(4-methoxyphenyl)-2-nitroethyl] sulfide, [1-(4-Methoxyphenyl)-2-nitroethyl]2-propenyl sulfide, 1-[1-(Allylsulfanyl)-2-nitroethyl]-4-methoxybenzene #
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 127865-40-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C[N+](=O)[O-])SCC=C |
| InChIKey | AAMMAJZRCLPUMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]- (CAS 127865-40-1), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: 1-methoxy-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene.
Chemical Property Profile of Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]-
Property Insights of Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]-. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]-. Following Lipinski's Rule of Five, Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]- has 0 hydrogen bond donor(s) and 4 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 Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]-?
The CAS number of Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]- is 127865-40-1.
What is the molecular formula of Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]-?
The molecular formula of Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]- is C12H15NO3S.
What is the molecular weight of Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]-?
The molecular weight of Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]- is 253.08 g/mol.
Where can I buy Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]-?
You can request a quote for Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.