![[2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate structure](/static/products/6069/6069-76-7.webp)
[2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate
TL;DR: [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate (CAS 6069-76-7) is a chemical compound with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate
Also Known As: BAS 00608010, [2-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate, BIM-0004209.P001, 2-(4-morpholinylcarbonothioyl)phenyl 3-nitrobenzoate, 2-(4-morpholinylcarbothioyl)phenyl 3-nitrobenzoate
| Molecular Formula | C18H16N2O5S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 2.8217 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.078 |
| Heavy Atoms | 26 |
| Complexity | 848.98004 |
Chemical Identifiers
| CAS Number | 6069-76-7 |
|---|---|
| SMILES | C1COCCN1C(=S)C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
[2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate (CAS 6069-76-7), with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol. IUPAC: [2-(morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate.
Chemical Property Profile of [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate
Property Insights of [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate
The XLogP value of 2.8217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate. Following Lipinski's Rule of Five, [2-(Morpholine-4-carbothioyl)phenyl] 3-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-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate?
The CAS number of [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate is 6069-76-7.
What is the molecular formula of [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate?
The molecular formula of [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate is C18H16N2O5S.
What is the molecular weight of [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate?
The molecular weight of [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate is 372.08 g/mol.
Where can I buy [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate?
You can request a quote for [2-(Morpholine-4-carbothioyl)phenyl] 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-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(Morpholine-4-carbothioyl)phenyl] 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.