AB00670682-01
TL;DR: AB00670682-01 (CAS 851977-76-9) is a chemical compound with molecular formula C27H21ClN4O6S and molecular weight 564.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670682-01, F0641-0762, ethyl 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C27H21ClN4O6S |
|---|---|
| Molecular Weight | 564.09 g/mol |
| LogP | 5.50162 |
| Topological Polar Surface Area | 125.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 564.08704 |
| Heavy Atoms | 39 |
| Complexity | 1773.689 |
Chemical Identifiers
| CAS Number | 851977-76-9 |
|---|---|
| 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)OC |
Product Overview
AB00670682-01 (CAS 851977-76-9), with molecular formula C27H21ClN4O6S and molecular weight 564.09 g/mol. IUPAC: ethyl 5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670682-01
Property Insights of AB00670682-01
The XLogP value of 5.50162 indicates that AB00670682-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00670682-01. Following Lipinski's Rule of Five, AB00670682-01 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00670682-01?
The CAS number of AB00670682-01 is 851977-76-9.
What is the molecular formula of AB00670682-01?
The molecular formula of AB00670682-01 is C27H21ClN4O6S.
What is the molecular weight of AB00670682-01?
The molecular weight of AB00670682-01 is 564.09 g/mol.
Where can I buy AB00670682-01?
You can request a quote for AB00670682-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670682-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670682-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.