ChemDiv3_006700
TL;DR: ChemDiv3_006700 (CAS 123542-48-3) is a chemical compound with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: ChemDiv3_006700, ethyl 5-amino-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, IDI1_024610, BAS 06047184, ethyl 5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C16H15N3O4S |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.07834 |
| Heavy Atoms | 24 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 123542-48-3 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=C(C=C3)OC |
| InChIKey | ZHOXCPCRQLGLIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ChemDiv3_006700 (CAS 123542-48-3), with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol. IUPAC: ethyl 5-amino-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of ChemDiv3_006700
Property Insights of ChemDiv3_006700
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006700. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006700. Following Lipinski's Rule of Five, ChemDiv3_006700 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 ChemDiv3_006700?
The CAS number of ChemDiv3_006700 is 123542-48-3.
What is the molecular formula of ChemDiv3_006700?
The molecular formula of ChemDiv3_006700 is C16H15N3O4S.
What is the molecular weight of ChemDiv3_006700?
The molecular weight of ChemDiv3_006700 is 345.08 g/mol.
Where can I buy ChemDiv3_006700?
You can request a quote for ChemDiv3_006700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006700?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.