AB00670294-01
TL;DR: AB00670294-01 (CAS 896676-97-4) is a chemical compound with molecular formula C28H23N3O5S and molecular weight 513.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methylphenyl)-5-[(2-naphthalen-2-yloxyacetyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670294-01, F0641-0219, ethyl 3-(4-methylphenyl)-5-[(2-naphthalen-2-yloxyacetyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-methylphenyl)-5-[2-(naphthalen-2-yloxy)acetamido]-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-(2-(naphthalen-2-yloxy)acetamido)-4-oxo-3-(p-tolyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C28H23N3O5S |
|---|---|
| Molecular Weight | 513.14 g/mol |
| LogP | 5.10302 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.13586 |
| Heavy Atoms | 37 |
| Complexity | 1688.5416 |
Chemical Identifiers
| CAS Number | 896676-97-4 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)COC3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)C |
Product Overview
AB00670294-01 (CAS 896676-97-4), with molecular formula C28H23N3O5S and molecular weight 513.14 g/mol. IUPAC: ethyl 3-(4-methylphenyl)-5-[(2-naphthalen-2-yloxyacetyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670294-01
Property Insights of AB00670294-01
The XLogP value of 5.10302 indicates that AB00670294-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670294-01. Following Lipinski's Rule of Five, AB00670294-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00670294-01?
The CAS number of AB00670294-01 is 896676-97-4.
What is the molecular formula of AB00670294-01?
The molecular formula of AB00670294-01 is C28H23N3O5S.
What is the molecular weight of AB00670294-01?
The molecular weight of AB00670294-01 is 513.14 g/mol.
Where can I buy AB00670294-01?
You can request a quote for AB00670294-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670294-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670294-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.