AB00670519-01
TL;DR: AB00670519-01 (CAS 851951-01-4) is a chemical compound with molecular formula C21H20F3N3O4S and molecular weight 467.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-5-(pentanoylamino)-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670519-01, F0641-0521, ethyl 4-oxo-5-pentanamido-3-[4-(trifluoromethyl)phenyl]-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 4-oxo-5-(pentanoylamino)-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate, ethyl 4-oxo-5-pentanamido-3-(4-(trifluoromethyl)phenyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C21H20F3N3O4S |
|---|---|
| Molecular Weight | 467.11 g/mol |
| LogP | 4.7714 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.11267 |
| Heavy Atoms | 32 |
| Complexity | 1199.9507 |
Chemical Identifiers
| CAS Number | 851951-01-4 |
|---|---|
| SMILES | CCCCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)OCC |
Product Overview
AB00670519-01 (CAS 851951-01-4), with molecular formula C21H20F3N3O4S and molecular weight 467.11 g/mol. IUPAC: ethyl 4-oxo-5-(pentanoylamino)-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670519-01
Property Insights of AB00670519-01
The XLogP value of 4.7714 indicates that AB00670519-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670519-01. Following Lipinski's Rule of Five, AB00670519-01 has 1 hydrogen bond donor(s) and 6 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 AB00670519-01?
The CAS number of AB00670519-01 is 851951-01-4.
What is the molecular formula of AB00670519-01?
The molecular formula of AB00670519-01 is C21H20F3N3O4S.
What is the molecular weight of AB00670519-01?
The molecular weight of AB00670519-01 is 467.11 g/mol.
Where can I buy AB00670519-01?
You can request a quote for AB00670519-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670519-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670519-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.