Butoxycarboxim
TL;DR: Butoxycarboxim (CAS 34681-23-7) is a chemical compound with molecular formula C7H14N2O4S and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate
Also Known As: Butoxycarboxim, Butoxicarboxim, Butoxycarboxime, Plant pin, Butoxycarboxim [ISO]
| Molecular Formula | C7H14N2O4S |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.06743 |
| Heavy Atoms | 14 |
| Complexity | 328.0 |
| Melting Point | 85-89 °C /Technical/ |
| Density | 1.21 g/cu cm @ 20 °C |
| Solubility | Readily soluble in polar organic solvents; slightly soluble in non-polar solvents; solubility (g/l @ 20 °C): in chloroform 186, acetone 172, isopropanol 101, toluene 29, carbon tetrachloride 5.3, cyclohexane 0.9, heptane 0.1 |
| Vapor Pressure | 0.000002 [mmHg] |
Chemical Identifiers
| CAS Number | 34681-23-7 |
|---|---|
| SMILES | CC(C(=NOC(=O)NC)C)S(=O)(=O)C |
| InChIKey | CTJBHIROCMPUKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butoxycarboxim (CAS 34681-23-7), with molecular formula C7H14N2O4S and molecular weight 222.07 g/mol. IUPAC: (3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate.
Chemical Property Profile of Butoxycarboxim
Property Insights of Butoxycarboxim
The XLogP value of -0.1 indicates that Butoxycarboxim is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Butoxycarboxim. Following Lipinski's Rule of Five, Butoxycarboxim has 1 hydrogen bond donor(s) and 5 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 Butoxycarboxim?
The CAS number of Butoxycarboxim is 34681-23-7.
What is the molecular formula of Butoxycarboxim?
The molecular formula of Butoxycarboxim is C7H14N2O4S.
What is the molecular weight of Butoxycarboxim?
The molecular weight of Butoxycarboxim is 222.07 g/mol.
Where can I buy Butoxycarboxim?
You can request a quote for Butoxycarboxim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butoxycarboxim?
Yes, KEHONG BIO provides custom synthesis services for Butoxycarboxim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.