AB00670596-01
TL;DR: AB00670596-01 (CAS 851951-67-2) is a chemical compound with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(2-ethoxyacetyl)amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670596-01, F0641-0665, ethyl 5-[(2-ethoxyacetyl)amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-(2-ethoxyacetamido)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-(2-ethoxyacetamido)-3-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C20H21N3O6S |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 2.6075 |
| Topological Polar Surface Area | 108.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.1151 |
| Heavy Atoms | 30 |
| Complexity | 1120.0125 |
Chemical Identifiers
| CAS Number | 851951-67-2 |
|---|---|
| SMILES | CCOCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)OC)C(=O)OCC |
Product Overview
AB00670596-01 (CAS 851951-67-2), with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol. IUPAC: ethyl 5-[(2-ethoxyacetyl)amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670596-01
Property Insights of AB00670596-01
The XLogP value of 2.6075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00670596-01. The TPSA of 108.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670596-01. Following Lipinski's Rule of Five, AB00670596-01 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 AB00670596-01?
The CAS number of AB00670596-01 is 851951-67-2.
What is the molecular formula of AB00670596-01?
The molecular formula of AB00670596-01 is C20H21N3O6S.
What is the molecular weight of AB00670596-01?
The molecular weight of AB00670596-01 is 431.12 g/mol.
Where can I buy AB00670596-01?
You can request a quote for AB00670596-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670596-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670596-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.