草克尔
TL;DR: 草克尔 (CAS 2533-89-3) is a chemical compound with molecular formula C12H15Cl2NO and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草克尔
N-(3,4-dichlorophenyl)-2-methylpentanamide
Also Known As: KARSIL, Erlujixiancaoan, Niagara 4562, N-(3,4-Dichlorophenyl)-2-methylpentanamide, KARSIL [MI]
| Molecular Formula | C12H15Cl2NO |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.05307 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 2533-89-3 |
|---|---|
| SMILES | CCCC(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | VUNCGGHZBFQRPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
草克尔 (CAS 2533-89-3), with molecular formula C12H15Cl2NO and molecular weight 259.05 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-methylpentanamide.
Chemical Property Profile of 草克尔
Property Insights of 草克尔
The XLogP value of 4.7 indicates that 草克尔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 草克尔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 草克尔 has 1 hydrogen bond donor(s) and 1 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 草克尔?
The CAS number of 草克尔 is 2533-89-3.
What is the molecular formula of 草克尔?
The molecular formula of 草克尔 is C12H15Cl2NO.
What is the molecular weight of 草克尔?
The molecular weight of 草克尔 is 259.05 g/mol.
Where can I buy 草克尔?
You can request a quote for 草克尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草克尔?
Yes, KEHONG BIO provides custom synthesis services for 草克尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.