Necrosulfonamide
TL;DR: Necrosulfonamide (CAS 432-54-2) is a chemical compound with molecular formula C18H15N5O6S2 and molecular weight 461.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
Also Known As: Necrosulfonamide, Necrosulfonamid, (E/Z)-Necrosulfonamide, Necrosulfonarnide, (Z)-Necrosulfonamide
| Molecular Formula | C18H15N5O6S2 |
|---|---|
| Molecular Weight | 461.05 g/mol |
| LogP | 2.9076 |
| Topological Polar Surface Area | 153.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.0464 |
| Heavy Atoms | 31 |
| Complexity | 1238.336 |
Chemical Identifiers
| CAS Number | 432-54-2 |
|---|---|
| SMILES | COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
Necrosulfonamide (CAS 432-54-2), with molecular formula C18H15N5O6S2 and molecular weight 461.05 g/mol. IUPAC: (E)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide.
Chemical Property Profile of Necrosulfonamide
Property Insights of Necrosulfonamide
The XLogP value of 2.9076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Necrosulfonamide. The TPSA of 153.42 Ų indicates high polarity, suggesting Necrosulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Necrosulfonamide has 2 hydrogen bond donor(s) and 9 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 Necrosulfonamide?
The CAS number of Necrosulfonamide is 432-54-2.
What is the molecular formula of Necrosulfonamide?
The molecular formula of Necrosulfonamide is C18H15N5O6S2.
What is the molecular weight of Necrosulfonamide?
The molecular weight of Necrosulfonamide is 461.05 g/mol.
Where can I buy Necrosulfonamide?
You can request a quote for Necrosulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Necrosulfonamide?
Yes, KEHONG BIO provides custom synthesis services for Necrosulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.