Desmethylthiamethoxam
TL;DR: Desmethylthiamethoxam (CAS 59457-26-0) is a chemical compound with molecular formula C7H8ClN5O3S and molecular weight 277.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dihydro-1,3,5-oxadiazin-4-yl]nitramide
Also Known As: N-Desmethylthiamethoxam, Thiamethoxam-desmethyl, DESMETHYLTHIAMETHOXAM, 1-chloro-1lambda3,2-benziodoxol-3-one, 1-Chloro-1
| Molecular Formula | C7H8ClN5O3S |
|---|---|
| Molecular Weight | 277.00 g/mol |
| LogP | 0.681 |
| Topological Polar Surface Area | 92.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.00363 |
| Heavy Atoms | 17 |
| Complexity | 450.4725 |
Chemical Identifiers
| CAS Number | 59457-26-0 |
|---|---|
| SMILES | C1N=C(N(CO1)CC2=CN=C(S2)Cl)N[N+](=O)[O-] |
Product Overview
Desmethylthiamethoxam (CAS 59457-26-0), with molecular formula C7H8ClN5O3S and molecular weight 277.00 g/mol. IUPAC: N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,6-dihydro-1,3,5-oxadiazin-4-yl]nitramide.
Chemical Property Profile of Desmethylthiamethoxam
Property Insights of Desmethylthiamethoxam
The XLogP value of 0.681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmethylthiamethoxam. The TPSA of 92.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethylthiamethoxam. Following Lipinski's Rule of Five, Desmethylthiamethoxam has 1 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 Desmethylthiamethoxam?
The CAS number of Desmethylthiamethoxam is 59457-26-0.
What is the molecular formula of Desmethylthiamethoxam?
The molecular formula of Desmethylthiamethoxam is C7H8ClN5O3S.
What is the molecular weight of Desmethylthiamethoxam?
The molecular weight of Desmethylthiamethoxam is 277.00 g/mol.
Where can I buy Desmethylthiamethoxam?
You can request a quote for Desmethylthiamethoxam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethylthiamethoxam?
Yes, KEHONG BIO provides custom synthesis services for Desmethylthiamethoxam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.