F0526-2061
TL;DR: F0526-2061 (CAS 476366-56-0) is a chemical compound with molecular formula C23H18N2O5S and molecular weight 434.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanobenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: F0526-2061, methyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-cyanobenzamido)-4-methylthiophene-3-carboxylate, methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanobenzoyl)amino]-4-methylthiophene-3-carboxylate, methyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(4-cyanobenzamido)-4-methylthiophene-3-carboxylate, Methyl 5-(benzo[1,3]dioxol-5-ylmethyl)-2-[(4-cyanobenzoyl)amino]-4-methyl-thiophene-3-carboxylate
| Molecular Formula | C23H18N2O5S |
|---|---|
| Molecular Weight | 434.09 g/mol |
| LogP | 4.2866 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.09363 |
| Heavy Atoms | 31 |
| Complexity | 1207.9402 |
Chemical Identifiers
| CAS Number | 476366-56-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)C#N)CC3=CC4=C(C=C3)OCO4 |
Product Overview
F0526-2061 (CAS 476366-56-0), with molecular formula C23H18N2O5S and molecular weight 434.09 g/mol. IUPAC: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanobenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of F0526-2061
Property Insights of F0526-2061
The XLogP value of 4.2866 indicates that F0526-2061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for F0526-2061. Following Lipinski's Rule of Five, F0526-2061 has 1 hydrogen bond donor(s) and 7 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 F0526-2061?
The CAS number of F0526-2061 is 476366-56-0.
What is the molecular formula of F0526-2061?
The molecular formula of F0526-2061 is C23H18N2O5S.
What is the molecular weight of F0526-2061?
The molecular weight of F0526-2061 is 434.09 g/mol.
Where can I buy F0526-2061?
You can request a quote for F0526-2061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0526-2061?
Yes, KEHONG BIO provides custom synthesis services for F0526-2061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.