AB00122700-01
TL;DR: AB00122700-01 (CAS 433253-60-2) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate
Also Known As: AB00122700-01, AN-988/40788530, [4-[(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate, 4-{(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-ethoxyphenyl thiophene-2-carboxylate, (Z)-4-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)-2-ethoxyphenyl thiophene-2-carboxylate
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 4.44424 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.12494 |
| Heavy Atoms | 33 |
| Complexity | 1263.8066 |
Chemical Identifiers
| CAS Number | 433253-60-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC(=C(C=C3)C)C)OC(=O)C4=CC=CS4 |
Product Overview
AB00122700-01 (CAS 433253-60-2), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: [4-[(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate.
Chemical Property Profile of AB00122700-01
Property Insights of AB00122700-01
The XLogP value of 4.44424 indicates that AB00122700-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122700-01. Following Lipinski's Rule of Five, AB00122700-01 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 AB00122700-01?
The CAS number of AB00122700-01 is 433253-60-2.
What is the molecular formula of AB00122700-01?
The molecular formula of AB00122700-01 is C25H22N2O5S.
What is the molecular weight of AB00122700-01?
The molecular weight of AB00122700-01 is 462.12 g/mol.
Where can I buy AB00122700-01?
You can request a quote for AB00122700-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122700-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122700-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.