恶虫威
TL;DR: 恶虫威 (CAS 22781-23-3) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
恶虫威
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate
Also Known As: bendiocarb, Bencarbate, Ficam, Niomil, Multamat
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
| Melting Point | 129.6 °C |
| Density | 1.25 g/cu cm at 20 °C |
| Solubility | In water, 260 mg/L at 25 °C |
| Vapor Pressure | 0.0000345 [mmHg] |
Chemical Identifiers
| CAS Number | 22781-23-3 |
|---|---|
| SMILES | CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C |
| InChIKey | XEGGRYVFLWGFHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
恶虫威 (CAS 22781-23-3), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate.
Chemical Property Profile of 恶虫威
Property Insights of 恶虫威
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 恶虫威. With a topological polar surface area (TPSA) of 56.8 Ų, 恶虫威 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 恶虫威 has 1 hydrogen bond donor(s) and 4 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 恶虫威?
The CAS number of 恶虫威 is 22781-23-3.
What is the molecular formula of 恶虫威?
The molecular formula of 恶虫威 is C11H13NO4.
What is the molecular weight of 恶虫威?
The molecular weight of 恶虫威 is 223.08 g/mol.
Where can I buy 恶虫威?
You can request a quote for 恶虫威 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 恶虫威?
Yes, KEHONG BIO provides custom synthesis services for 恶虫威 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.