![N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline structure](/static/products/785/78520-48-6.png)
N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline
TL;DR: N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline (CAS 78520-48-6) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline
Also Known As: N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline, N-{[(4-methylphenyl)sulfanyl]methyl}-4-nitroaniline, AA-516/12432420
| Molecular Formula | C14H14N2O2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 4.06492 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0776 |
| Heavy Atoms | 19 |
| Complexity | 552.6636 |
Chemical Identifiers
| CAS Number | 78520-48-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCNC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline (CAS 78520-48-6), with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol. IUPAC: N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline.
Chemical Property Profile of N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline
Property Insights of N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline
The XLogP value of 4.06492 indicates that N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline has 1 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 N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline?
The CAS number of N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline is 78520-48-6.
What is the molecular formula of N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline?
The molecular formula of N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline is C14H14N2O2S.
What is the molecular weight of N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline?
The molecular weight of N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline is 274.08 g/mol.
Where can I buy N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline?
You can request a quote for N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-methylphenyl)sulfanylmethyl]-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.