F0526-2054
TL;DR: F0526-2054 (CAS 476366-49-1) is a chemical compound with molecular formula C29H23NO6S and molecular weight 513.12 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-benzoylbenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: F0526-2054, methyl 2-(4-benzoylbenzamido)-5-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methylthiophene-3-carboxylate, methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzoylbenzoyl)amino]-4-methylthiophene-3-carboxylate, methyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(4-benzoylbenzamido)-4-methylthiophene-3-carboxylate
| Molecular Formula | C29H23NO6S |
|---|---|
| Molecular Weight | 513.12 g/mol |
| LogP | 5.64592 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.12463 |
| Heavy Atoms | 37 |
| Complexity | 1491.0781 |
Chemical Identifiers
| CAS Number | 476366-49-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
F0526-2054 (CAS 476366-49-1), with molecular formula C29H23NO6S and molecular weight 513.12 g/mol. IUPAC: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzoylbenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of F0526-2054
Property Insights of F0526-2054
The XLogP value of 5.64592 indicates that F0526-2054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for F0526-2054. Following Lipinski's Rule of Five, F0526-2054 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0526-2054?
The CAS number of F0526-2054 is 476366-49-1.
What is the molecular formula of F0526-2054?
The molecular formula of F0526-2054 is C29H23NO6S.
What is the molecular weight of F0526-2054?
The molecular weight of F0526-2054 is 513.12 g/mol.
Where can I buy F0526-2054?
You can request a quote for F0526-2054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0526-2054?
Yes, KEHONG BIO provides custom synthesis services for F0526-2054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.