2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate
TL;DR: 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate (CAS 443673-84-5) is a chemical compound with molecular formula C18H14Cl2N2O5S and molecular weight 440.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-2-nitrobenzoate
Also Known As: 2-chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate, [2-chloro-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-2-nitro-benzoate, [2-chloro-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-2-nitrobenzoate, 2-chloro-4-(morpholine-4-carbonothioyl)phenyl 4-chloro-2-nitrobenzoate, 2-CHLORO-4-(MORPHOLINE-4-CARBOTHIOYL)PHENYL 4-CHLORO-2-NITROBENZOATE
| Molecular Formula | C18H14Cl2N2O5S |
|---|---|
| Molecular Weight | 440.00 g/mol |
| LogP | 4.1285 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.00006 |
| Heavy Atoms | 28 |
| Complexity | 947.56836 |
Chemical Identifiers
| CAS Number | 443673-84-5 |
|---|---|
| SMILES | C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])Cl |
Product Overview
2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate (CAS 443673-84-5), with molecular formula C18H14Cl2N2O5S and molecular weight 440.00 g/mol. IUPAC: [2-chloro-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-2-nitrobenzoate.
Chemical Property Profile of 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate
Property Insights of 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate
The XLogP value of 4.1285 indicates that 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate. Following Lipinski's Rule of Five, 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate?
The CAS number of 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate is 443673-84-5.
What is the molecular formula of 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate?
The molecular formula of 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate is C18H14Cl2N2O5S.
What is the molecular weight of 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate?
The molecular weight of 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate is 440.00 g/mol.
Where can I buy 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate?
You can request a quote for 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.