Kaya-ace
TL;DR: Kaya-ace (CAS 3078-97-5) is a chemical compound with molecular formula C12H20NO5PS2 and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-diethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
Also Known As: Kaya-ace, DSP[pesticide], NK 0795, O,O-DIETHYL-O- PHOSPHOROTHIOATE, 4-diethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
| Molecular Formula | C12H20NO5PS2 |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.05206 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 3078-97-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C |
| InChIKey | RQRGLPSXUHGMES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Kaya-ace (CAS 3078-97-5), with molecular formula C12H20NO5PS2 and molecular weight 353.05 g/mol. IUPAC: 4-diethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of Kaya-ace
Property Insights of Kaya-ace
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kaya-ace. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Kaya-ace. Following Lipinski's Rule of Five, Kaya-ace has 0 hydrogen bond donor(s) and 7 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 Kaya-ace?
The CAS number of Kaya-ace is 3078-97-5.
What is the molecular formula of Kaya-ace?
The molecular formula of Kaya-ace is C12H20NO5PS2.
What is the molecular weight of Kaya-ace?
The molecular weight of Kaya-ace is 353.05 g/mol.
Where can I buy Kaya-ace?
You can request a quote for Kaya-ace directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kaya-ace?
Yes, KEHONG BIO provides custom synthesis services for Kaya-ace and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.