F1312-0030
TL;DR: F1312-0030 (CAS 458527-33-8) is a chemical compound with molecular formula C18H12F6N2O2S2 and molecular weight 466.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
Also Known As: F1312-0030, 2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-{2-[(trifluoromethyl)sulfanyl]phenyl}acetamide, 2-(3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)-N-(2-((trifluoromethyl)thio)phenyl)acetamide, 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide, 2-[3-oxo-6-(trifluoromethyl)(2H,4H-benzo[e]1,4-thiazaperhydroin-2-yl)]-N-[2-(t rifluoromethylthio)phenyl]acetamide
| Molecular Formula | C18H12F6N2O2S2 |
|---|---|
| Molecular Weight | 466.02 g/mol |
| LogP | 5.7589 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.02444 |
| Heavy Atoms | 30 |
| Complexity | 977.87946 |
Chemical Identifiers
| CAS Number | 458527-33-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)SC(F)(F)F |
Product Overview
F1312-0030 (CAS 458527-33-8), with molecular formula C18H12F6N2O2S2 and molecular weight 466.02 g/mol. IUPAC: 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.
Chemical Property Profile of F1312-0030
Property Insights of F1312-0030
The XLogP value of 5.7589 indicates that F1312-0030 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, F1312-0030 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1312-0030 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1312-0030?
The CAS number of F1312-0030 is 458527-33-8.
What is the molecular formula of F1312-0030?
The molecular formula of F1312-0030 is C18H12F6N2O2S2.
What is the molecular weight of F1312-0030?
The molecular weight of F1312-0030 is 466.02 g/mol.
Where can I buy F1312-0030?
You can request a quote for F1312-0030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1312-0030?
Yes, KEHONG BIO provides custom synthesis services for F1312-0030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.