Trilan
TL;DR: Trilan (CAS 50995-94-3) is a chemical compound with molecular formula C7H2Cl3NO2 and molecular weight 236.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Trilan
4,5,6-trichloro-3H-1,3-benzoxazol-2-one
Also Known As: Trilan, trichlorobenzoxazolinone, 4,5,6-Trichlorobenzoxazolinone, 4,5,6-trichloro-3H-1,3-benzoxazol-2-one, 4,5,6-Trichloro-2(3H)-benzoxazolone
| Molecular Formula | C7H2Cl3NO2 |
|---|---|
| Molecular Weight | 236.92 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.91512 |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 50995-94-3 |
|---|---|
| SMILES | C1=C2C(=C(C(=C1Cl)Cl)Cl)NC(=O)O2 |
| InChIKey | OOXHZCGBJSGVTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trilan (CAS 50995-94-3), with molecular formula C7H2Cl3NO2 and molecular weight 236.92 g/mol. IUPAC: 4,5,6-trichloro-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of Trilan
Property Insights of Trilan
The XLogP value of 3.0 indicates that Trilan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Trilan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trilan has 1 hydrogen bond donor(s) and 2 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 Trilan?
The CAS number of Trilan is 50995-94-3.
What is the molecular formula of Trilan?
The molecular formula of Trilan is C7H2Cl3NO2.
What is the molecular weight of Trilan?
The molecular weight of Trilan is 236.92 g/mol.
Where can I buy Trilan?
You can request a quote for Trilan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trilan?
Yes, KEHONG BIO provides custom synthesis services for Trilan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.