AB00670457-01
TL;DR: AB00670457-01 (CAS 851950-35-1) is a chemical compound with molecular formula C23H16ClN3O6S and molecular weight 497.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670457-01, F0641-0431, ethyl 5-(2H-1,3-benzodioxole-5-amido)-3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)-3-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C23H16ClN3O6S |
|---|---|
| Molecular Weight | 497.04 g/mol |
| LogP | 4.2583 |
| Topological Polar Surface Area | 108.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.04483 |
| Heavy Atoms | 34 |
| Complexity | 1495.3606 |
Chemical Identifiers
| CAS Number | 851950-35-1 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl |
Product Overview
AB00670457-01 (CAS 851950-35-1), with molecular formula C23H16ClN3O6S and molecular weight 497.04 g/mol. IUPAC: ethyl 5-(1,3-benzodioxole-5-carbonylamino)-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670457-01
Property Insights of AB00670457-01
The XLogP value of 4.2583 indicates that AB00670457-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670457-01. Following Lipinski's Rule of Five, AB00670457-01 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 AB00670457-01?
The CAS number of AB00670457-01 is 851950-35-1.
What is the molecular formula of AB00670457-01?
The molecular formula of AB00670457-01 is C23H16ClN3O6S.
What is the molecular weight of AB00670457-01?
The molecular weight of AB00670457-01 is 497.04 g/mol.
Where can I buy AB00670457-01?
You can request a quote for AB00670457-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670457-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670457-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.