ChemDiv2_006488
TL;DR: ChemDiv2_006488 (CAS 851949-24-1) is a chemical compound with molecular formula C25H22FN3O7S and molecular weight 527.12 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-[(3,4,5-trimethoxybenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
Also Known As: ChemDiv2_006488, IDI1_005203, AB00670359-01, F0641-0304, ethyl 3-(4-fluorophenyl)-4-oxo-5-(3,4,5-trimethoxybenzamido)-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C25H22FN3O7S |
|---|---|
| Molecular Weight | 527.12 g/mol |
| LogP | 4.0411 |
| Topological Polar Surface Area | 117.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.1163 |
| Heavy Atoms | 37 |
| Complexity | 1521.6644 |
Chemical Identifiers
| CAS Number | 851949-24-1 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)F |
Product Overview
ChemDiv2_006488 (CAS 851949-24-1), with molecular formula C25H22FN3O7S and molecular weight 527.12 g/mol. IUPAC: ethyl 3-(4-fluorophenyl)-4-oxo-5-[(3,4,5-trimethoxybenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of ChemDiv2_006488
Property Insights of ChemDiv2_006488
The XLogP value of 4.0411 indicates that ChemDiv2_006488 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006488. Following Lipinski's Rule of Five, ChemDiv2_006488 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_006488?
The CAS number of ChemDiv2_006488 is 851949-24-1.
What is the molecular formula of ChemDiv2_006488?
The molecular formula of ChemDiv2_006488 is C25H22FN3O7S.
What is the molecular weight of ChemDiv2_006488?
The molecular weight of ChemDiv2_006488 is 527.12 g/mol.
Where can I buy ChemDiv2_006488?
You can request a quote for ChemDiv2_006488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006488?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.