AB00670636-01
TL;DR: AB00670636-01 (CAS 851952-11-9) is a chemical compound with molecular formula C23H18N4O7S and molecular weight 494.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methoxyphenyl)-5-[(3-nitrobenzoyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00670636-01, F0641-0711, ethyl 3-(4-methoxyphenyl)-5-(3-nitrobenzamido)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-methoxyphenyl)-5-(3-nitrobenzamido)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate, ethyl 3-(4-methoxyphenyl)-5-[(3-nitrobenzoyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C23H18N4O7S |
|---|---|
| Molecular Weight | 494.09 g/mol |
| LogP | 3.793 |
| Topological Polar Surface Area | 142.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.08963 |
| Heavy Atoms | 35 |
| Complexity | 1508.8309 |
Chemical Identifiers
| CAS Number | 851952-11-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC |
Product Overview
AB00670636-01 (CAS 851952-11-9), with molecular formula C23H18N4O7S and molecular weight 494.09 g/mol. IUPAC: ethyl 3-(4-methoxyphenyl)-5-[(3-nitrobenzoyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00670636-01
Property Insights of AB00670636-01
The XLogP value of 3.793 indicates that AB00670636-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.66 Ų indicates high polarity, suggesting AB00670636-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00670636-01 has 1 hydrogen bond donor(s) and 9 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 AB00670636-01?
The CAS number of AB00670636-01 is 851952-11-9.
What is the molecular formula of AB00670636-01?
The molecular formula of AB00670636-01 is C23H18N4O7S.
What is the molecular weight of AB00670636-01?
The molecular weight of AB00670636-01 is 494.09 g/mol.
Where can I buy AB00670636-01?
You can request a quote for AB00670636-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00670636-01?
Yes, KEHONG BIO provides custom synthesis services for AB00670636-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.