AB00670437-01
TL;DR: AB00670437-01 (CAS 851950-13-5) is a chemical compound with molecular formula C18H16ClN3O5S and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)-5-[(2-methoxyacetyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670437-01, F0641-0406, ethyl 3-(4-chlorophenyl)-5-(2-methoxyacetamido)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-chlorophenyl)-5-(2-methoxyacetamido)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-chlorophenyl)-5-[(2-methoxyacetyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C18H16ClN3O5S |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 2.8622 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.04993 |
| Heavy Atoms | 28 |
| Complexity | 1091.0344 |
Chemical Identifiers
| CAS Number | 851950-13-5 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)COC)C3=CC=C(C=C3)Cl |
Product Overview
AB00670437-01 (CAS 851950-13-5), with molecular formula C18H16ClN3O5S and molecular weight 421.05 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-5-[(2-methoxyacetyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670437-01
Property Insights of AB00670437-01
The XLogP value of 2.8622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00670437-01. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670437-01. Following Lipinski's Rule of Five, AB00670437-01 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 AB00670437-01?
The CAS number of AB00670437-01 is 851950-13-5.
What is the molecular formula of AB00670437-01?
The molecular formula of AB00670437-01 is C18H16ClN3O5S.
What is the molecular weight of AB00670437-01?
The molecular weight of AB00670437-01 is 421.05 g/mol.
Where can I buy AB00670437-01?
You can request a quote for AB00670437-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670437-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670437-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.