AB00670408-01
TL;DR: AB00670408-01 (CAS 851949-81-0) is a chemical compound with molecular formula C25H22FN3O4S and molecular weight 479.13 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-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670408-01, F0641-0361, ethyl 3-(4-fluorophenyl)-4-oxo-5-(2-phenylbutanamido)-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-fluorophenyl)-4-oxo-5-(2-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-fluorophenyl)-4-oxo-5-(2-phenylbutanamido)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C25H22FN3O4S |
|---|---|
| Molecular Weight | 479.13 g/mol |
| LogP | 4.8953 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.1315 |
| Heavy Atoms | 34 |
| Complexity | 1397.7057 |
Chemical Identifiers
| CAS Number | 851949-81-0 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=C(C=C4)F)C(=O)OCC |
Product Overview
AB00670408-01 (CAS 851949-81-0), with molecular formula C25H22FN3O4S and molecular weight 479.13 g/mol. IUPAC: ethyl 3-(4-fluorophenyl)-4-oxo-5-(2-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670408-01
Property Insights of AB00670408-01
The XLogP value of 4.8953 indicates that AB00670408-01 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 AB00670408-01. Following Lipinski's Rule of Five, AB00670408-01 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 AB00670408-01?
The CAS number of AB00670408-01 is 851949-81-0.
What is the molecular formula of AB00670408-01?
The molecular formula of AB00670408-01 is C25H22FN3O4S.
What is the molecular weight of AB00670408-01?
The molecular weight of AB00670408-01 is 479.13 g/mol.
Where can I buy AB00670408-01?
You can request a quote for AB00670408-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670408-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670408-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.