AB00684730-01
TL;DR: AB00684730-01 (CAS 851948-74-8) is a chemical compound with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(furan-2-carbonylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00684730-01, F0641-0242, ethyl 5-(furan-2-amido)-3-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-(furan-2-carbonylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-(furan-2-carboxamido)-4-oxo-3-(p-tolyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C21H17N3O5S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 3.77762 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.0889 |
| Heavy Atoms | 30 |
| Complexity | 1286.9281 |
Chemical Identifiers
| CAS Number | 851948-74-8 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=CO3)C4=CC=C(C=C4)C |
Product Overview
AB00684730-01 (CAS 851948-74-8), with molecular formula C21H17N3O5S and molecular weight 423.09 g/mol. IUPAC: ethyl 5-(furan-2-carbonylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00684730-01
Property Insights of AB00684730-01
The XLogP value of 3.77762 indicates that AB00684730-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684730-01. Following Lipinski's Rule of Five, AB00684730-01 has 1 hydrogen bond donor(s) and 7 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 AB00684730-01?
The CAS number of AB00684730-01 is 851948-74-8.
What is the molecular formula of AB00684730-01?
The molecular formula of AB00684730-01 is C21H17N3O5S.
What is the molecular weight of AB00684730-01?
The molecular weight of AB00684730-01 is 423.09 g/mol.
Where can I buy AB00684730-01?
You can request a quote for AB00684730-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684730-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684730-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.