Alicep
TL;DR: Alicep (CAS 8065-18-7) is a chemical compound with molecular formula C21H18Cl2N4O3 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Alicep
5-amino-4-chloro-2-phenylpyridazin-3-one;but-3-yn-2-yl N-(3-chlorophenyl)carbamate
Also Known As: Alicep, Pyrazon-chlorbufam mixt., Chloridazon-chlorbufam mixt., Chlorbufam mixt. with chloridazon, Carbamic acid, (3-chlorophenyl)-, 1-methyl-2-propynyl ester, mixt. with 5-amino-4-chloro-2-phenyl-3(2H)-pyridazinone
| Molecular Formula | C21H18Cl2N4O3 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 4.3783 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.0756 |
| Heavy Atoms | 30 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 8065-18-7 |
|---|---|
| SMILES | CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl.C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl |
| InChIKey | QXTVBUKEWNHBSA-UHFFFAOYSA-N |
Product Overview
Alicep (CAS 8065-18-7), with molecular formula C21H18Cl2N4O3 and molecular weight 444.08 g/mol. IUPAC: 5-amino-4-chloro-2-phenylpyridazin-3-one;but-3-yn-2-yl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of Alicep
Property Insights of Alicep
The XLogP value of 4.3783 indicates that Alicep is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alicep. Following Lipinski's Rule of Five, Alicep has 2 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 Alicep?
The CAS number of Alicep is 8065-18-7.
What is the molecular formula of Alicep?
The molecular formula of Alicep is C21H18Cl2N4O3.
What is the molecular weight of Alicep?
The molecular weight of Alicep is 444.08 g/mol.
Where can I buy Alicep?
You can request a quote for Alicep directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alicep?
Yes, KEHONG BIO provides custom synthesis services for Alicep and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.