Benoxafos
TL;DR: Benoxafos (CAS 16759-59-4) is a chemical compound with molecular formula C12H14Cl2NO3PS2 and molecular weight 384.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dichloro-1,3-benzoxazol-2-yl)methylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Benoxafos, Benoxafosum, Benoxafos [INN], Benoxaphos, Batestan
| Molecular Formula | C12H14Cl2NO3PS2 |
|---|---|
| Molecular Weight | 384.95 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.95297 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 16759-59-4 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCC1=NC2=C(O1)C(=CC(=C2)Cl)Cl |
| InChIKey | KEZAYQGUTKCBLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benoxafos (CAS 16759-59-4), with molecular formula C12H14Cl2NO3PS2 and molecular weight 384.95 g/mol. IUPAC: (5,7-dichloro-1,3-benzoxazol-2-yl)methylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Benoxafos
Property Insights of Benoxafos
The XLogP value of 5.0 indicates that Benoxafos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benoxafos. Following Lipinski's Rule of Five, Benoxafos has 0 hydrogen bond donor(s) and 6 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 Benoxafos?
The CAS number of Benoxafos is 16759-59-4.
What is the molecular formula of Benoxafos?
The molecular formula of Benoxafos is C12H14Cl2NO3PS2.
What is the molecular weight of Benoxafos?
The molecular weight of Benoxafos is 384.95 g/mol.
Where can I buy Benoxafos?
You can request a quote for Benoxafos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benoxafos?
Yes, KEHONG BIO provides custom synthesis services for Benoxafos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.