AB00670561-01
TL;DR: AB00670561-01 (CAS 887875-95-8) is a chemical compound with molecular formula C26H21ClF3N3O5S and molecular weight 579.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670561-01, F0641-0605, ethyl 5-(2-(4-chlorophenoxy)-2-methylpropanamido)-4-oxo-3-(4-(trifluoromethyl)phenyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-oxo-3-[4-(trifluoromethyl)phenyl]-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C26H21ClF3N3O5S |
|---|---|
| Molecular Weight | 579.08 g/mol |
| LogP | 6.0922 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 579.0842 |
| Heavy Atoms | 39 |
| Complexity | 1596.8682 |
Chemical Identifiers
| CAS Number | 887875-95-8 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(F)(F)F |
Product Overview
AB00670561-01 (CAS 887875-95-8), with molecular formula C26H21ClF3N3O5S and molecular weight 579.08 g/mol. IUPAC: ethyl 5-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670561-01
Property Insights of AB00670561-01
The XLogP value of 6.0922 indicates that AB00670561-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670561-01. Following Lipinski's Rule of Five, AB00670561-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00670561-01?
The CAS number of AB00670561-01 is 887875-95-8.
What is the molecular formula of AB00670561-01?
The molecular formula of AB00670561-01 is C26H21ClF3N3O5S.
What is the molecular weight of AB00670561-01?
The molecular weight of AB00670561-01 is 579.08 g/mol.
Where can I buy AB00670561-01?
You can request a quote for AB00670561-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670561-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670561-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.