AF-399/41219747
TL;DR: AF-399/41219747 (CAS 458527-30-5) is a chemical compound with molecular formula C12H10F3N3O3S and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-carbamoyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Also Known As: AF-399/41219747, N-carbamoyl-2-(3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide, F1312-0022, {2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}urea, N-carbamoyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
| Molecular Formula | C12H10F3N3O3S |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 1.7032 |
| Topological Polar Surface Area | 101.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.0395 |
| Heavy Atoms | 22 |
| Complexity | 648.239 |
Chemical Identifiers
| CAS Number | 458527-30-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(S2)CC(=O)NC(=O)N |
Product Overview
AF-399/41219747 (CAS 458527-30-5), with molecular formula C12H10F3N3O3S and molecular weight 333.04 g/mol. IUPAC: N-carbamoyl-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.
Chemical Property Profile of AF-399/41219747
Property Insights of AF-399/41219747
The XLogP value of 1.7032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41219747. The TPSA of 101.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41219747. Following Lipinski's Rule of Five, AF-399/41219747 has 3 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 AF-399/41219747?
The CAS number of AF-399/41219747 is 458527-30-5.
What is the molecular formula of AF-399/41219747?
The molecular formula of AF-399/41219747 is C12H10F3N3O3S.
What is the molecular weight of AF-399/41219747?
The molecular weight of AF-399/41219747 is 333.04 g/mol.
Where can I buy AF-399/41219747?
You can request a quote for AF-399/41219747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41219747?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41219747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.