2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
TL;DR: 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate (CAS 443678-02-2) is a chemical compound with molecular formula C20H19ClN2O7S and molecular weight 466.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate
Also Known As: 2,6-dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate, 2,6-dimethoxy-4-(morpholine-4-carbonothioyl)phenyl 4-chloro-3-nitrobenzoate, [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitro-benzoate, [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate, 2,6-DIMETHOXY-4-(MORPHOLINE-4-CARBOTHIOYL)PHENYL 4-CHLORO-3-NITROBENZOATE
| Molecular Formula | C20H19ClN2O7S |
|---|---|
| Molecular Weight | 466.06 g/mol |
| LogP | 3.4923 |
| Topological Polar Surface Area | 100.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.06015 |
| Heavy Atoms | 31 |
| Complexity | 999.5782 |
Chemical Identifiers
| CAS Number | 443678-02-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC)C(=S)N3CCOCC3 |
Product Overview
2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate (CAS 443678-02-2), with molecular formula C20H19ClN2O7S and molecular weight 466.06 g/mol. IUPAC: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate.
Chemical Property Profile of 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
Property Insights of 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate
The XLogP value of 3.4923 indicates that 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate has 0 hydrogen bond donor(s) and 8 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 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate?
The CAS number of 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate is 443678-02-2.
What is the molecular formula of 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate?
The molecular formula of 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate is C20H19ClN2O7S.
What is the molecular weight of 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate?
The molecular weight of 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate is 466.06 g/mol.
Where can I buy 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate?
You can request a quote for 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethoxy-4-(morpholin-4-ylcarbonothioyl)phenyl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.