ML276
TL;DR: ML276 (CAS 933005-54-0) is a chemical compound with molecular formula C23H24FN3O2S and molecular weight 425.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
Also Known As: ML276, 2H-1,4-Benzothiazine-6-carboxamide, N-[[(2R)-1-ethyl-2-pyrrolidinyl]methyl]-2-[(2-fluorophenyl)methylene]-3,4-dihydro-3-oxo-, (2Z)-, N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
| Molecular Formula | C23H24FN3O2S |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 4.1251 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.15732 |
| Heavy Atoms | 30 |
| Complexity | 1007.69275 |
Chemical Identifiers
| CAS Number | 933005-54-0 |
|---|---|
| SMILES | CCN1CCCC1CNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4F)C(=O)N3 |
Product Overview
ML276 (CAS 933005-54-0), with molecular formula C23H24FN3O2S and molecular weight 425.16 g/mol. IUPAC: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(2-fluorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
Chemical Property Profile of ML276
Property Insights of ML276
The XLogP value of 4.1251 indicates that ML276 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ML276. Following Lipinski's Rule of Five, ML276 has 2 hydrogen bond donor(s) and 4 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 ML276?
The CAS number of ML276 is 933005-54-0.
What is the molecular formula of ML276?
The molecular formula of ML276 is C23H24FN3O2S.
What is the molecular weight of ML276?
The molecular weight of ML276 is 425.16 g/mol.
Where can I buy ML276?
You can request a quote for ML276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML276?
Yes, KEHONG BIO provides custom synthesis services for ML276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.