![4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate structure](/static/products/3204/320424-12-2.webp)
4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate
TL;DR: 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate (CAS 320424-12-2) is a chemical compound with molecular formula C21H16ClNO4S and molecular weight 413.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl 3-methylbenzoate
Also Known As: 12N-652S, 4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate, [4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl 3-methylbenzoate, {4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}methyl 3-methylbenzoate, {4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}methyl3-methylbenzoate
| Molecular Formula | C21H16ClNO4S |
|---|---|
| Molecular Weight | 413.05 g/mol |
| LogP | 6.06482 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.04886 |
| Heavy Atoms | 28 |
| Complexity | 1021.1691 |
Chemical Identifiers
| CAS Number | 320424-12-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate (CAS 320424-12-2), with molecular formula C21H16ClNO4S and molecular weight 413.05 g/mol. IUPAC: [4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl 3-methylbenzoate.
Chemical Property Profile of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate
Property Insights of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate
The XLogP value of 6.06482 indicates that 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate. Following Lipinski's Rule of Five, 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate has 0 hydrogen bond donor(s) and 5 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-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate?
The CAS number of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate is 320424-12-2.
What is the molecular formula of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate?
The molecular formula of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate is C21H16ClNO4S.
What is the molecular weight of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate?
The molecular weight of 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate is 413.05 g/mol.
Where can I buy 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate?
You can request a quote for 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Chlorophenyl)sulfanyl]-3-nitrobenzyl 3-methylbenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.