AB00684735-01
TL;DR: AB00684735-01 (CAS 851951-68-3) is a chemical compound with molecular formula C22H23N3O7S and molecular weight 473.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(4-ethoxy-4-oxobutanoyl)amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: AB00684735-01, F0641-0666, ethyl 5-(4-ethoxy-4-oxobutanamido)-3-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-[(4-ethoxy-4-oxobutanoyl)amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate, ethyl 5-(4-ethoxy-4-oxobutanamido)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C22H23N3O7S |
|---|---|
| Molecular Weight | 473.13 g/mol |
| LogP | 2.9143 |
| Topological Polar Surface Area | 125.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.12567 |
| Heavy Atoms | 33 |
| Complexity | 1231.2556 |
Chemical Identifiers
| CAS Number | 851951-68-3 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)OC)C(=O)OCC |
Product Overview
AB00684735-01 (CAS 851951-68-3), with molecular formula C22H23N3O7S and molecular weight 473.13 g/mol. IUPAC: ethyl 5-[(4-ethoxy-4-oxobutanoyl)amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of AB00684735-01
Property Insights of AB00684735-01
The XLogP value of 2.9143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684735-01. The TPSA of 125.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684735-01. Following Lipinski's Rule of Five, AB00684735-01 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 AB00684735-01?
The CAS number of AB00684735-01 is 851951-68-3.
What is the molecular formula of AB00684735-01?
The molecular formula of AB00684735-01 is C22H23N3O7S.
What is the molecular weight of AB00684735-01?
The molecular weight of AB00684735-01 is 473.13 g/mol.
Where can I buy AB00684735-01?
You can request a quote for AB00684735-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684735-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684735-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.