2-Benzoxazolinone, 4,5,7-trichloro-
TL;DR: 2-Benzoxazolinone, 4,5,7-trichloro- (CAS 64037-31-6) 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.
4,5,7-trichloro-3H-1,3-benzoxazol-2-one
Also Known As: 4,5,7-Trichloro-2-benzoxazolinone, 2-BENZOXAZOLINONE, 4,5,7-TRICHLORO-, 4,5,7-trichloro-3H-1,3-benzoxazol-2-one, 2(3H)-Benzoxazolone,5,7-trichloro-, 4,5,7-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 | 64037-31-6 |
|---|---|
| SMILES | C1=C(C2=C(C(=C1Cl)Cl)NC(=O)O2)Cl |
| InChIKey | DEUSSOTUEGORRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoxazolinone, 4,5,7-trichloro- (CAS 64037-31-6), with molecular formula C7H2Cl3NO2 and molecular weight 236.92 g/mol. IUPAC: 4,5,7-trichloro-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2-Benzoxazolinone, 4,5,7-trichloro-
Property Insights of 2-Benzoxazolinone, 4,5,7-trichloro-
The XLogP value of 3.0 indicates that 2-Benzoxazolinone, 4,5,7-trichloro- 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-Benzoxazolinone, 4,5,7-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 4,5,7-trichloro- 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 2-Benzoxazolinone, 4,5,7-trichloro-?
The CAS number of 2-Benzoxazolinone, 4,5,7-trichloro- is 64037-31-6.
What is the molecular formula of 2-Benzoxazolinone, 4,5,7-trichloro-?
The molecular formula of 2-Benzoxazolinone, 4,5,7-trichloro- is C7H2Cl3NO2.
What is the molecular weight of 2-Benzoxazolinone, 4,5,7-trichloro-?
The molecular weight of 2-Benzoxazolinone, 4,5,7-trichloro- is 236.92 g/mol.
Where can I buy 2-Benzoxazolinone, 4,5,7-trichloro-?
You can request a quote for 2-Benzoxazolinone, 4,5,7-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolinone, 4,5,7-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 4,5,7-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.