![tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate structure](/static/products/890/890091-87-9.png)
tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate
TL;DR: tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate (CAS 890091-87-9) is a chemical compound with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylate
Also Known As: H-TYR-TRP-OH, tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate, ZERO/004679, tert-Butyl 3-hydroxy-7,8-dihydropyrido[4,3-c]pyridazine-6(5H)-carboxylate, 6-N-BOC-5,6,7,8-TETRAHYDRO-PYRIDO[4,3-C]PYRIDAZIN-3-OL
| Molecular Formula | C12H17N3O3 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 1.0631 |
| Topological Polar Surface Area | 75.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.127 |
| Heavy Atoms | 18 |
| Complexity | 516.0343 |
Chemical Identifiers
| CAS Number | 890091-87-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC2=NNC(=O)C=C2C1 |
Product Overview
tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate (CAS 890091-87-9), with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol. IUPAC: tert-butyl 3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxylate.
Chemical Property Profile of tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate
Property Insights of tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate
The XLogP value of 1.0631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate. The TPSA of 75.29 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate. Following Lipinski's Rule of Five, tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate has 1 hydrogen bond donor(s) and 4 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 tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate?
The CAS number of tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate is 890091-87-9.
What is the molecular formula of tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate?
The molecular formula of tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate is C12H17N3O3.
What is the molecular weight of tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate?
The molecular weight of tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate is 251.13 g/mol.
Where can I buy tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate?
You can request a quote for tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.