BRD-K56276307-001-01-2
TL;DR: BRD-K56276307-001-01-2 (CAS 898645-38-0) is a chemical compound with molecular formula C16H10F3N5O3S and molecular weight 409.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-1,2-benzothiazol-3-one
Also Known As: BRD-K56276307-001-01-2, 2-({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, 1,1-dioxo-2-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-1,2-benzothiazol-3-one, 2-((1-(3-(trifluoromethyl)phenyl)-1H-tetrazol-5-yl)methyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-({1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetraazol-5-yl}methyl)-2-hydrobenzo[ d]isothiazole-1,1,3-trione
| Molecular Formula | C16H10F3N5O3S |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | 2.0258 |
| Topological Polar Surface Area | 98.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.04565 |
| Heavy Atoms | 28 |
| Complexity | 1189.9856 |
Chemical Identifiers
| CAS Number | 898645-38-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=NN=NN3C4=CC=CC(=C4)C(F)(F)F |
Product Overview
BRD-K56276307-001-01-2 (CAS 898645-38-0), with molecular formula C16H10F3N5O3S and molecular weight 409.05 g/mol. IUPAC: 1,1-dioxo-2-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-1,2-benzothiazol-3-one.
Chemical Property Profile of BRD-K56276307-001-01-2
Property Insights of BRD-K56276307-001-01-2
The XLogP value of 2.0258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K56276307-001-01-2. The TPSA of 98.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K56276307-001-01-2. Following Lipinski's Rule of Five, BRD-K56276307-001-01-2 has 0 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 BRD-K56276307-001-01-2?
The CAS number of BRD-K56276307-001-01-2 is 898645-38-0.
What is the molecular formula of BRD-K56276307-001-01-2?
The molecular formula of BRD-K56276307-001-01-2 is C16H10F3N5O3S.
What is the molecular weight of BRD-K56276307-001-01-2?
The molecular weight of BRD-K56276307-001-01-2 is 409.05 g/mol.
Where can I buy BRD-K56276307-001-01-2?
You can request a quote for BRD-K56276307-001-01-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K56276307-001-01-2?
Yes, KEHONG BIO provides custom synthesis services for BRD-K56276307-001-01-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.