AB00670512-01
TL;DR: AB00670512-01 (CAS 896677-01-3) is a chemical compound with molecular formula C26H18Cl2N4O5S and molecular weight 568.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)-5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670512-01, F0641-0504, ethyl 3-(4-chlorophenyl)-5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-chlorophenyl)-5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-chlorophenyl)-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C26H18Cl2N4O5S |
|---|---|
| Molecular Weight | 568.04 g/mol |
| LogP | 6.14642 |
| Topological Polar Surface Area | 116.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 568.0375 |
| Heavy Atoms | 38 |
| Complexity | 1758.1172 |
Chemical Identifiers
| CAS Number | 896677-01-3 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C)C5=CC=C(C=C5)Cl |
Product Overview
AB00670512-01 (CAS 896677-01-3), with molecular formula C26H18Cl2N4O5S and molecular weight 568.04 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670512-01
Property Insights of AB00670512-01
The XLogP value of 6.14642 indicates that AB00670512-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670512-01. Following Lipinski's Rule of Five, AB00670512-01 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00670512-01?
The CAS number of AB00670512-01 is 896677-01-3.
What is the molecular formula of AB00670512-01?
The molecular formula of AB00670512-01 is C26H18Cl2N4O5S.
What is the molecular weight of AB00670512-01?
The molecular weight of AB00670512-01 is 568.04 g/mol.
Where can I buy AB00670512-01?
You can request a quote for AB00670512-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670512-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670512-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.