ChemDiv2_002821
TL;DR: ChemDiv2_002821 (CAS 896811-90-8) is a chemical compound with molecular formula C18H18ClN5O3S and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]piperazine-1-carboxylate
Also Known As: ChemDiv2_002821, ethyl 4-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]piperazine-1-carboxylate, ethyl 4-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]piperazine-1-carboxylate, 4-(1-Benzothiazol-2-yl-5-chloro-6-oxo-1,6-dihydro-pyridazin-4-yl)-piperazine-1-carboxylic acid ethyl ester, ethyl 4-(1-(benzo[d]thiazol-2-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)piperazine-1-carboxylate
| Molecular Formula | C18H18ClN5O3S |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 2.7741 |
| Topological Polar Surface Area | 80.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.08188 |
| Heavy Atoms | 28 |
| Complexity | 1041.5134 |
Chemical Identifiers
| CAS Number | 896811-90-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4S3)Cl |
Product Overview
ChemDiv2_002821 (CAS 896811-90-8), with molecular formula C18H18ClN5O3S and molecular weight 419.08 g/mol. IUPAC: ethyl 4-[1-(1,3-benzothiazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv2_002821
Property Insights of ChemDiv2_002821
The XLogP value of 2.7741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_002821. The TPSA of 80.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002821. Following Lipinski's Rule of Five, ChemDiv2_002821 has 0 hydrogen bond donor(s) and 7 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 ChemDiv2_002821?
The CAS number of ChemDiv2_002821 is 896811-90-8.
What is the molecular formula of ChemDiv2_002821?
The molecular formula of ChemDiv2_002821 is C18H18ClN5O3S.
What is the molecular weight of ChemDiv2_002821?
The molecular weight of ChemDiv2_002821 is 419.08 g/mol.
Where can I buy ChemDiv2_002821?
You can request a quote for ChemDiv2_002821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002821?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.