2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
TL;DR: 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one (CAS 57527-44-3) is a chemical compound with molecular formula C9H6Cl3NO2 and molecular weight 264.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trichloromethyl)-1,2-dihydro-3,1-benzoxazin-4-one
Also Known As: 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one, 2-(trichloromethyl)-1,2-dihydro-3,1-benzoxazin-4-one, 2-(trichloromethyl)-2,4-dihydro-1H-3,1-benzoxazin-4-one, RefChem:357338
| Molecular Formula | C9H6Cl3NO2 |
|---|---|
| Molecular Weight | 264.95 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.9464 |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 57527-44-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(N2)C(Cl)(Cl)Cl |
| InChIKey | YDDGICZDOHSNKP-UHFFFAOYSA-N |
Product Overview
2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one (CAS 57527-44-3), with molecular formula C9H6Cl3NO2 and molecular weight 264.95 g/mol. IUPAC: 2-(trichloromethyl)-1,2-dihydro-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
Property Insights of 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
The XLogP value of 3.5 indicates that 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one has 1 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 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one?
The CAS number of 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one is 57527-44-3.
What is the molecular formula of 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one is C9H6Cl3NO2.
What is the molecular weight of 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one is 264.95 g/mol.
Where can I buy 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.