4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine
TL;DR: 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine (CAS 96446-86-5) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
morpholin-4-yl-(5-nitro-1-benzothiophen-2-yl)methanone
Also Known As: 4-(5-nitro-1-benzothiophene-2-carbonyl)morpholine, Morpholine, 4-[(5-nitrobenzo[b]thien-2-yl)carbonyl]-, 9P-515S, morpholino(5-nitro-1-benzothiophen-2-yl)methanone, morpholino(5-nitrobenzo[b]thiophen-2-yl)methanone
| Molecular Formula | C13H12N2O4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 2.2819 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0518 |
| Heavy Atoms | 20 |
| Complexity | 676.06104 |
Chemical Identifiers
| CAS Number | 96446-86-5 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine (CAS 96446-86-5), with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol. IUPAC: morpholin-4-yl-(5-nitro-1-benzothiophen-2-yl)methanone.
Chemical Property Profile of 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine
Property Insights of 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine
The XLogP value of 2.2819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine. Following Lipinski's Rule of Five, 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine has 0 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 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine?
The CAS number of 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine is 96446-86-5.
What is the molecular formula of 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine?
The molecular formula of 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine is C13H12N2O4S.
What is the molecular weight of 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine?
The molecular weight of 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine is 292.05 g/mol.
Where can I buy 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine?
You can request a quote for 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Nitro-1-benzothiophene-2-carbonyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.