![4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide structure](/static/products/4319/431908-27-9.webp)
4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide
TL;DR: 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide (CAS 431908-27-9) is a chemical compound with molecular formula C16H13Cl3N2O3S and molecular weight 417.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide
Also Known As: AH-487/40935912, 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide, 4-chloro-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide
| Molecular Formula | C16H13Cl3N2O3S |
|---|---|
| Molecular Weight | 417.97 g/mol |
| LogP | 5.2182 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.97125 |
| Heavy Atoms | 25 |
| Complexity | 802.1896 |
Chemical Identifiers
| CAS Number | 431908-27-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl)Cl |
Product Overview
4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide (CAS 431908-27-9), with molecular formula C16H13Cl3N2O3S and molecular weight 417.97 g/mol. IUPAC: 4-chloro-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide
Property Insights of 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide
The XLogP value of 5.2182 indicates that 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide 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 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide has 1 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-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide?
The CAS number of 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide is 431908-27-9.
What is the molecular formula of 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide?
The molecular formula of 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide is C16H13Cl3N2O3S.
What is the molecular weight of 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide?
The molecular weight of 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide is 417.97 g/mol.
Where can I buy 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide?
You can request a quote for 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.