![n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline structure](/static/products/6631/6631-99-8.webp)
n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline
TL;DR: n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline (CAS 6631-99-8) is a chemical compound with molecular formula C14H14ClNOS and molecular weight 279.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)sulfanylmethyl]-4-methoxyaniline
Also Known As: NCIOpen2_002332, n-{[(4-chlorophenyl)sulfanyl]methyl}-4-methoxyaniline, N-[(4-chlorophenyl)sulfanylmethyl]-4-methoxyaniline, Benzenamine, N-[[(4-chlorophenyl)thio]methyl]-4-methoxy-
| Molecular Formula | C14H14ClNOS |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.04846 |
| Heavy Atoms | 18 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 6631-99-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCSC2=CC=C(C=C2)Cl |
| InChIKey | OATLCSJUWBALRH-UHFFFAOYSA-N |
Product Overview
n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline (CAS 6631-99-8), with molecular formula C14H14ClNOS and molecular weight 279.05 g/mol. IUPAC: N-[(4-chlorophenyl)sulfanylmethyl]-4-methoxyaniline.
Chemical Property Profile of n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline
Property Insights of n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline
The XLogP value of 4.8 indicates that n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline has 1 hydrogen bond donor(s) and 3 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-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline?
The CAS number of n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline is 6631-99-8.
What is the molecular formula of n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline?
The molecular formula of n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline is C14H14ClNOS.
What is the molecular weight of n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline?
The molecular weight of n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline is 279.05 g/mol.
Where can I buy n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline?
You can request a quote for n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.