尼美舒利
TL;DR: 尼美舒利 (CAS 51803-78-2) is a chemical compound with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼美舒利
N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
Also Known As: nimesulide, Aulin, Mesulid, Flogovital, Sulidene
| Molecular Formula | C13H12N2O5S |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0467 |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
| Melting Point | 143-144.5 °C |
Chemical Identifiers
| CAS Number | 51803-78-2 |
|---|---|
| SMILES | CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 |
| InChIKey | HYWYRSMBCFDLJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尼美舒利 (CAS 51803-78-2), with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol. IUPAC: N-(4-nitro-2-phenoxyphenyl)methanesulfonamide.
Chemical Property Profile of 尼美舒利
Property Insights of 尼美舒利
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 尼美舒利. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 尼美舒利. Following Lipinski's Rule of Five, 尼美舒利 has 1 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 尼美舒利?
The CAS number of 尼美舒利 is 51803-78-2.
What is the molecular formula of 尼美舒利?
The molecular formula of 尼美舒利 is C13H12N2O5S.
What is the molecular weight of 尼美舒利?
The molecular weight of 尼美舒利 is 308.05 g/mol.
Where can I buy 尼美舒利?
You can request a quote for 尼美舒利 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尼美舒利?
Yes, KEHONG BIO provides custom synthesis services for 尼美舒利 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.