![1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene structure](/static/products/1871/1871-44-9.webp)
1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene
TL;DR: 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene (CAS 1871-44-9) is a chemical compound with molecular formula C13H10N2O5S and molecular weight 306.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)sulfanyl-2,4-dinitrobenzene
Also Known As: 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene, 1-(4-methoxyphenyl)sulfanyl-2,4-dinitrobenzene, 2,4-Dinitrophenyl(4-methoxyphenyl) sulfide, 4-Methoxyphenyl(2,4-dinitrophenyl) sulfide, J2.513.581D
| Molecular Formula | C13H10N2O5S |
|---|---|
| Molecular Weight | 306.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.03104 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 1871-44-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | COMLHPRASAYUSX-UHFFFAOYSA-N |
Product Overview
1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene (CAS 1871-44-9), with molecular formula C13H10N2O5S and molecular weight 306.03 g/mol. IUPAC: 1-(4-methoxyphenyl)sulfanyl-2,4-dinitrobenzene.
Chemical Property Profile of 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene
Property Insights of 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene
The XLogP value of 3.6 indicates that 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene has 0 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 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene?
The CAS number of 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene is 1871-44-9.
What is the molecular formula of 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene?
The molecular formula of 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene is C13H10N2O5S.
What is the molecular weight of 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene?
The molecular weight of 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene is 306.03 g/mol.
Where can I buy 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene?
You can request a quote for 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Methoxyphenyl)sulfanyl]-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.