![4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene structure](/static/products/4778/477869-74-2.webp)
4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene
TL;DR: 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene (CAS 477869-74-2) is a chemical compound with molecular formula C20H16BrNO2S2 and molecular weight 444.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromophenyl)sulfanylmethyl]-1-(4-methylphenyl)sulfanyl-2-nitrobenzene
Also Known As: 1P-693S, 4-{[(4-bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene, 4-[(4-bromophenyl)sulfanylmethyl]-1-(4-methylphenyl)sulfanyl-2-nitrobenzene, 4-[(4-bromophenyl)sulfanylmethyl]-1-(4-methylphenyl)sulfanyl-2-nitro-benzene
| Molecular Formula | C20H16BrNO2S2 |
|---|---|
| Molecular Weight | 444.98 g/mol |
| LogP | 7.10922 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.9806 |
| Heavy Atoms | 26 |
| Complexity | 912.09924 |
Chemical Identifiers
| CAS Number | 477869-74-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)CSC3=CC=C(C=C3)Br)[N+](=O)[O-] |
Product Overview
4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene (CAS 477869-74-2), with molecular formula C20H16BrNO2S2 and molecular weight 444.98 g/mol. IUPAC: 4-[(4-bromophenyl)sulfanylmethyl]-1-(4-methylphenyl)sulfanyl-2-nitrobenzene.
Chemical Property Profile of 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene
Property Insights of 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene
The XLogP value of 7.10922 indicates that 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene 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-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene?
The CAS number of 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene is 477869-74-2.
What is the molecular formula of 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene?
The molecular formula of 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene is C20H16BrNO2S2.
What is the molecular weight of 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene?
The molecular weight of 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene is 444.98 g/mol.
Where can I buy 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene?
You can request a quote for 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-Bromophenyl)sulfanyl]methyl}-1-[(4-methylphenyl)sulfanyl]-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.