ChemDiv1_006212
TL;DR: ChemDiv1_006212 (CAS 304648-98-4) is a chemical compound with molecular formula C14H4F7NO3S and molecular weight 398.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-one
Also Known As: ChemDiv1_006212, BIM-0003820.P001, 1,1-dioxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-one, 2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C14H4F7NO3S |
|---|---|
| Molecular Weight | 398.98 g/mol |
| LogP | 3.6109 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 398.98 |
| Heavy Atoms | 26 |
| Complexity | 1033.9357 |
Chemical Identifiers
| CAS Number | 304648-98-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)C3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F |
Product Overview
ChemDiv1_006212 (CAS 304648-98-4), with molecular formula C14H4F7NO3S and molecular weight 398.98 g/mol. IUPAC: 1,1-dioxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-one.
Chemical Property Profile of ChemDiv1_006212
Property Insights of ChemDiv1_006212
The XLogP value of 3.6109 indicates that ChemDiv1_006212 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, ChemDiv1_006212 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006212 has 0 hydrogen bond donor(s) and 3 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 ChemDiv1_006212?
The CAS number of ChemDiv1_006212 is 304648-98-4.
What is the molecular formula of ChemDiv1_006212?
The molecular formula of ChemDiv1_006212 is C14H4F7NO3S.
What is the molecular weight of ChemDiv1_006212?
The molecular weight of ChemDiv1_006212 is 398.98 g/mol.
Where can I buy ChemDiv1_006212?
You can request a quote for ChemDiv1_006212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006212?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.