F0526-2114
TL;DR: F0526-2114 (CAS 476367-08-5) is a chemical compound with molecular formula C21H15ClN2O3S and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-chlorobenzamide
Also Known As: F0526-2114, N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}-4-chlorobenzamide, N-(5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)-4-chlorobenzamide, N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-chlorobenzamide
| Molecular Formula | C21H15ClN2O3S |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 5.1534 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.0492 |
| Heavy Atoms | 28 |
| Complexity | 1100.0739 |
Chemical Identifiers
| CAS Number | 476367-08-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4 |
Product Overview
F0526-2114 (CAS 476367-08-5), with molecular formula C21H15ClN2O3S and molecular weight 410.05 g/mol. IUPAC: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-chlorobenzamide.
Chemical Property Profile of F0526-2114
Property Insights of F0526-2114
The XLogP value of 5.1534 indicates that F0526-2114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for F0526-2114. Following Lipinski's Rule of Five, F0526-2114 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0526-2114?
The CAS number of F0526-2114 is 476367-08-5.
What is the molecular formula of F0526-2114?
The molecular formula of F0526-2114 is C21H15ClN2O3S.
What is the molecular weight of F0526-2114?
The molecular weight of F0526-2114 is 410.05 g/mol.
Where can I buy F0526-2114?
You can request a quote for F0526-2114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0526-2114?
Yes, KEHONG BIO provides custom synthesis services for F0526-2114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.