AB00670419-01
TL;DR: AB00670419-01 (CAS 851949-93-4) is a chemical compound with molecular formula C25H16FN3O6S and molecular weight 505.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-fluorophenyl)-4-oxo-5-[(2-oxochromene-3-carbonyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670419-01, F0641-0374, ethyl 3-(4-fluorophenyl)-4-oxo-5-(2-oxo-2H-chromene-3-amido)-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-fluorophenyl)-4-oxo-5-(2-oxo-2H-chromene-3-carboxamido)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-fluorophenyl)-4-oxo-5-[(2-oxochromene-3-carbonyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C25H16FN3O6S |
|---|---|
| Molecular Weight | 505.07 g/mol |
| LogP | 4.1217 |
| Topological Polar Surface Area | 120.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.07437 |
| Heavy Atoms | 36 |
| Complexity | 1771.5332 |
Chemical Identifiers
| CAS Number | 851949-93-4 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC4=CC=CC=C4OC3=O)C5=CC=C(C=C5)F |
Product Overview
AB00670419-01 (CAS 851949-93-4), with molecular formula C25H16FN3O6S and molecular weight 505.07 g/mol. IUPAC: ethyl 3-(4-fluorophenyl)-4-oxo-5-[(2-oxochromene-3-carbonyl)amino]thieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670419-01
Property Insights of AB00670419-01
The XLogP value of 4.1217 indicates that AB00670419-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670419-01. Following Lipinski's Rule of Five, AB00670419-01 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00670419-01?
The CAS number of AB00670419-01 is 851949-93-4.
What is the molecular formula of AB00670419-01?
The molecular formula of AB00670419-01 is C25H16FN3O6S.
What is the molecular weight of AB00670419-01?
The molecular weight of AB00670419-01 is 505.07 g/mol.
Where can I buy AB00670419-01?
You can request a quote for AB00670419-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670419-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670419-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.