棉铃威
TL;DR: 棉铃威 (CAS 83130-01-2) is a chemical compound with molecular formula C17H25N3O4S2 and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
棉铃威
ethyl 3-[benzyl-[methyl-[(E)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylamino]propanoate
Also Known As: Alanycarb, Pesticide2_Alanycarb_C17H25N3O4S2_, ethyl 3-[benzyl-[methyl-[(E)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylamino]propanoate
| Molecular Formula | C17H25N3O4S2 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.7698 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 399.12866 |
| Heavy Atoms | 26 |
| Complexity | 598.9306 |
Chemical Identifiers
| CAS Number | 83130-01-2 |
|---|---|
| SMILES | CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)O/N=C(\C)/SC |
Product Overview
棉铃威 (CAS 83130-01-2), with molecular formula C17H25N3O4S2 and molecular weight 399.13 g/mol. IUPAC: ethyl 3-[benzyl-[methyl-[(E)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylamino]propanoate.
Chemical Property Profile of 棉铃威
Property Insights of 棉铃威
The XLogP value of 3.7698 indicates that 棉铃威 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 棉铃威. Following Lipinski's Rule of Five, 棉铃威 has 0 hydrogen bond donor(s) and 8 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 棉铃威?
The CAS number of 棉铃威 is 83130-01-2.
What is the molecular formula of 棉铃威?
The molecular formula of 棉铃威 is C17H25N3O4S2.
What is the molecular weight of 棉铃威?
The molecular weight of 棉铃威 is 399.13 g/mol.
Where can I buy 棉铃威?
You can request a quote for 棉铃威 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 棉铃威?
Yes, KEHONG BIO provides custom synthesis services for 棉铃威 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.