4-Morpholino-3-nitrophenyl sulfone
TL;DR: 4-Morpholino-3-nitrophenyl sulfone (CAS 14937-70-3) is a chemical compound with molecular formula C20H22N4O8S and molecular weight 478.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-morpholin-4-yl-3-nitrophenyl)sulfonyl-2-nitrophenyl]morpholine
Also Known As: 4-Morpholino-3-nitrophenyl sulfone, Bis(4-morpholino-3-nitrophenyl)sulfone, BAS 01909538, 4,4'-[Sulfonylbis(2-nitro-4,1-phenylene)]bis(morpholine), 4-[4-(4-morpholin-4-yl-3-nitrophenyl)sulfonyl-2-nitrophenyl]morpholine
| Molecular Formula | C20H22N4O8S |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.11584 |
| Heavy Atoms | 33 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 14937-70-3 |
|---|---|
| SMILES | C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QPGLEWVICRIDCQ-UHFFFAOYSA-N |
Product Overview
4-Morpholino-3-nitrophenyl sulfone (CAS 14937-70-3), with molecular formula C20H22N4O8S and molecular weight 478.12 g/mol. IUPAC: 4-[4-(4-morpholin-4-yl-3-nitrophenyl)sulfonyl-2-nitrophenyl]morpholine.
Chemical Property Profile of 4-Morpholino-3-nitrophenyl sulfone
Property Insights of 4-Morpholino-3-nitrophenyl sulfone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Morpholino-3-nitrophenyl sulfone. The TPSA of 159.0 Ų indicates high polarity, suggesting 4-Morpholino-3-nitrophenyl sulfone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Morpholino-3-nitrophenyl sulfone has 0 hydrogen bond donor(s) and 10 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-Morpholino-3-nitrophenyl sulfone?
The CAS number of 4-Morpholino-3-nitrophenyl sulfone is 14937-70-3.
What is the molecular formula of 4-Morpholino-3-nitrophenyl sulfone?
The molecular formula of 4-Morpholino-3-nitrophenyl sulfone is C20H22N4O8S.
What is the molecular weight of 4-Morpholino-3-nitrophenyl sulfone?
The molecular weight of 4-Morpholino-3-nitrophenyl sulfone is 478.12 g/mol.
Where can I buy 4-Morpholino-3-nitrophenyl sulfone?
You can request a quote for 4-Morpholino-3-nitrophenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Morpholino-3-nitrophenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Morpholino-3-nitrophenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.