AB00684734-01
TL;DR: AB00684734-01 (CAS 851950-15-7) is a chemical compound with molecular formula C21H20ClN3O6S and molecular weight 477.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)-5-[(4-ethoxy-4-oxobutanoyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00684734-01, F0641-0408, ethyl 3-(4-chlorophenyl)-5-(4-ethoxy-4-oxobutanamido)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-chlorophenyl)-5-(4-ethoxy-4-oxobutanamido)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-chlorophenyl)-5-[(4-ethoxy-4-oxobutanoyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C21H20ClN3O6S |
|---|---|
| Molecular Weight | 477.08 g/mol |
| LogP | 3.5591 |
| Topological Polar Surface Area | 116.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.07614 |
| Heavy Atoms | 32 |
| Complexity | 1218.7383 |
Chemical Identifiers
| CAS Number | 851950-15-7 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(=O)OCC |
Product Overview
AB00684734-01 (CAS 851950-15-7), with molecular formula C21H20ClN3O6S and molecular weight 477.08 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-5-[(4-ethoxy-4-oxobutanoyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00684734-01
Property Insights of AB00684734-01
The XLogP value of 3.5591 indicates that AB00684734-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684734-01. Following Lipinski's Rule of Five, AB00684734-01 has 1 hydrogen bond donor(s) and 8 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 AB00684734-01?
The CAS number of AB00684734-01 is 851950-15-7.
What is the molecular formula of AB00684734-01?
The molecular formula of AB00684734-01 is C21H20ClN3O6S.
What is the molecular weight of AB00684734-01?
The molecular weight of AB00684734-01 is 477.08 g/mol.
Where can I buy AB00684734-01?
You can request a quote for AB00684734-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684734-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684734-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.