AB00670334-01
TL;DR: AB00670334-01 (CAS 851948-96-4) is a chemical compound with molecular formula C26H26FN3O4S and molecular weight 495.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(adamantane-1-carbonylamino)-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670334-01, ethyl 5-((3r,5r,7r)-adamantane-1-carboxamido)-3-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, F0641-0276, ethyl 5-(adamantane-1-amido)-3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-(adamantane-1-carbonylamino)-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C26H26FN3O4S |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 4.9179 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.1628 |
| Heavy Atoms | 35 |
| Complexity | 1358.7988 |
Chemical Identifiers
| CAS Number | 851948-96-4 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)F |
Product Overview
AB00670334-01 (CAS 851948-96-4), with molecular formula C26H26FN3O4S and molecular weight 495.16 g/mol. IUPAC: ethyl 5-(adamantane-1-carbonylamino)-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670334-01
Property Insights of AB00670334-01
The XLogP value of 4.9179 indicates that AB00670334-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670334-01. Following Lipinski's Rule of Five, AB00670334-01 has 1 hydrogen bond donor(s) and 6 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 AB00670334-01?
The CAS number of AB00670334-01 is 851948-96-4.
What is the molecular formula of AB00670334-01?
The molecular formula of AB00670334-01 is C26H26FN3O4S.
What is the molecular weight of AB00670334-01?
The molecular weight of AB00670334-01 is 495.16 g/mol.
Where can I buy AB00670334-01?
You can request a quote for AB00670334-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670334-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670334-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.