![N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide structure](/static/products/5301/530139-15-2.webp)
N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide
TL;DR: N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide (CAS 530139-15-2) is a chemical compound with molecular formula C18H18ClFN2O3S2 and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
Also Known As: N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide, N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
| Molecular Formula | C18H18ClFN2O3S2 |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 4.6701 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 428.04315 |
| Heavy Atoms | 27 |
| Complexity | 770.4263 |
Chemical Identifiers
| CAS Number | 530139-15-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSCCNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])F |
Product Overview
N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide (CAS 530139-15-2), with molecular formula C18H18ClFN2O3S2 and molecular weight 428.04 g/mol. IUPAC: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide.
Chemical Property Profile of N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide
Property Insights of N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide
The XLogP value of 4.6701 indicates that N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide has 1 hydrogen bond donor(s) and 5 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-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide?
The CAS number of N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide is 530139-15-2.
What is the molecular formula of N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide?
The molecular formula of N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide is C18H18ClFN2O3S2.
What is the molecular weight of N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide?
The molecular weight of N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide is 428.04 g/mol.
Where can I buy N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide?
You can request a quote for N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-[(4-nitrobenzyl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.