F0526-2197
TL;DR: F0526-2197 (CAS 476367-99-4) is a chemical compound with molecular formula C23H20N2O3S2 and molecular weight 436.09 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]-3-phenylsulfanylpropanamide
Also Known As: F0526-2197, N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}-3-(phenylsulfanyl)propanamide, N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3-phenylsulfanylpropanamide, N-(5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)-3-(phenylthio)propanamide, N-[5-(benzo[1,3]dioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-3-phenylsulfanyl-propanamide
| Molecular Formula | C23H20N2O3S2 |
|---|---|
| Molecular Weight | 436.09 g/mol |
| LogP | 5.3686 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.09152 |
| Heavy Atoms | 30 |
| Complexity | 1103.6262 |
Chemical Identifiers
| CAS Number | 476367-99-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)CCSC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
F0526-2197 (CAS 476367-99-4), with molecular formula C23H20N2O3S2 and molecular weight 436.09 g/mol. IUPAC: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3-phenylsulfanylpropanamide.
Chemical Property Profile of F0526-2197
Property Insights of F0526-2197
The XLogP value of 5.3686 indicates that F0526-2197 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 F0526-2197. Following Lipinski's Rule of Five, F0526-2197 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0526-2197?
The CAS number of F0526-2197 is 476367-99-4.
What is the molecular formula of F0526-2197?
The molecular formula of F0526-2197 is C23H20N2O3S2.
What is the molecular weight of F0526-2197?
The molecular weight of F0526-2197 is 436.09 g/mol.
Where can I buy F0526-2197?
You can request a quote for F0526-2197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0526-2197?
Yes, KEHONG BIO provides custom synthesis services for F0526-2197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.