A2681/0114279
TL;DR: A2681/0114279 (CAS 297146-36-2) is a chemical compound with molecular formula C18H21Cl2NO4S and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: A2681/0114279, ethyl 5-acetyl-2-({[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl}amino)-4-methylthiophene-3-carboxylate, ETHYL 5-ACETYL-2-({[3-(2,2-DICHLOROVINYL)-2,2-DIMETHYLCYCLOPROPYL]CARBONYL}AMINO)-4-METHYL-3-THIOPHENECARBOXYLATE, ethyl 5-acetyl-2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-{[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane]amido}-4-methylthiophene-3-carboxylate
| Molecular Formula | C18H21Cl2NO4S |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 4.96552 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.05682 |
| Heavy Atoms | 26 |
| Complexity | 793.35693 |
Chemical Identifiers
| CAS Number | 297146-36-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2C(C2(C)C)C=C(Cl)Cl |
Product Overview
A2681/0114279 (CAS 297146-36-2), with molecular formula C18H21Cl2NO4S and molecular weight 417.06 g/mol. IUPAC: ethyl 5-acetyl-2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of A2681/0114279
Property Insights of A2681/0114279
The XLogP value of 4.96552 indicates that A2681/0114279 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for A2681/0114279. Following Lipinski's Rule of Five, A2681/0114279 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 A2681/0114279?
The CAS number of A2681/0114279 is 297146-36-2.
What is the molecular formula of A2681/0114279?
The molecular formula of A2681/0114279 is C18H21Cl2NO4S.
What is the molecular weight of A2681/0114279?
The molecular weight of A2681/0114279 is 417.06 g/mol.
Where can I buy A2681/0114279?
You can request a quote for A2681/0114279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2681/0114279?
Yes, KEHONG BIO provides custom synthesis services for A2681/0114279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.