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Benzo[C][1,2,5]oxadiazole-5-boronicacid
TL;DR: Benzo[C][1,2,5]oxadiazole-5-boronicacid (CAS 534-87-2) is a chemical compound with molecular formula C10H16ClNO2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride
Also Known As: Effortilvet, Apocretin, Circupon, Effontil, Etilefrin
| Molecular Formula | C10H16ClNO2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | -2.99 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.08696 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 534-87-2 |
|---|---|
| SMILES | CC[NH2+]CC(C1=CC(=CC=C1)O)O.[Cl-] |
| InChIKey | KTNROWWHOBZQGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo[C][1,2,5]oxadiazole-5-boronicacid (CAS 534-87-2), with molecular formula C10H16ClNO2 and molecular weight 217.09 g/mol. IUPAC: ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride.
Chemical Property Profile of Benzo[C][1,2,5]oxadiazole-5-boronicacid
Property Insights of Benzo[C][1,2,5]oxadiazole-5-boronicacid
The XLogP value of -2.99 indicates that Benzo[C][1,2,5]oxadiazole-5-boronicacid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.1 Ų, Benzo[C][1,2,5]oxadiazole-5-boronicacid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[C][1,2,5]oxadiazole-5-boronicacid has 3 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 Benzo[C][1,2,5]oxadiazole-5-boronicacid?
The CAS number of Benzo[C][1,2,5]oxadiazole-5-boronicacid is 534-87-2.
What is the molecular formula of Benzo[C][1,2,5]oxadiazole-5-boronicacid?
The molecular formula of Benzo[C][1,2,5]oxadiazole-5-boronicacid is C10H16ClNO2.
What is the molecular weight of Benzo[C][1,2,5]oxadiazole-5-boronicacid?
The molecular weight of Benzo[C][1,2,5]oxadiazole-5-boronicacid is 217.09 g/mol.
Where can I buy Benzo[C][1,2,5]oxadiazole-5-boronicacid?
You can request a quote for Benzo[C][1,2,5]oxadiazole-5-boronicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[C][1,2,5]oxadiazole-5-boronicacid?
Yes, KEHONG BIO provides custom synthesis services for Benzo[C][1,2,5]oxadiazole-5-boronicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.