![4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one structure](/static/products/861/861210-70-0.png)
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
TL;DR: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one (CAS 861210-70-0) is a chemical compound with molecular formula C15H9ClF3N3O2 and molecular weight 355.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5-one
Also Known As: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one, 2W-0867, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-4,5-dihydro-1,3,4-benzoxadiazepin-5-one, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1,3,4-benzoxadiazepin-5-one, 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-methyl-1,3,4-benzoxadiazepin-5-one
| Molecular Formula | C15H9ClF3N3O2 |
|---|---|
| Molecular Weight | 355.03 g/mol |
| LogP | 4.1264 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.03354 |
| Heavy Atoms | 24 |
| Complexity | 852.0982 |
Chemical Identifiers
| CAS Number | 861210-70-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C2=CC=CC=C2O1)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one (CAS 861210-70-0), with molecular formula C15H9ClF3N3O2 and molecular weight 355.03 g/mol. IUPAC: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5-one.
Chemical Property Profile of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
Property Insights of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one
The XLogP value of 4.1264 indicates that 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one has 0 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 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The CAS number of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is 861210-70-0.
What is the molecular formula of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The molecular formula of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is C15H9ClF3N3O2.
What is the molecular weight of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
The molecular weight of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one is 355.03 g/mol.
Where can I buy 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
You can request a quote for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-1,3,4-benzoxadiazepin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.