F0526-2139
TL;DR: F0526-2139 (CAS 476367-33-6) is a chemical compound with molecular formula C28H28N4O7S2 and molecular weight 596.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: F0526-2139, ethyl 4-[4-({5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}carbamoyl)benzenesulfonyl]piperazine-1-carboxylate, ethyl 4-((4-((5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-[4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate, 4-ethoxycarbonyl-1-piperazinyl-p-{N-5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methyl-2-thienylcarbamoyl}phenyl(oxo)-lambda-sulfaniumolate
| Molecular Formula | C28H28N4O7S2 |
|---|---|
| Molecular Weight | 596.14 g/mol |
| LogP | 3.9628 |
| Topological Polar Surface Area | 138.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 596.13995 |
| Heavy Atoms | 41 |
| Complexity | 1619.9412 |
Chemical Identifiers
| CAS Number | 476367-33-6 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(S3)CC4=CC5=C(C=C4)OCO5)C)C#N |
Product Overview
F0526-2139 (CAS 476367-33-6), with molecular formula C28H28N4O7S2 and molecular weight 596.14 g/mol. IUPAC: ethyl 4-[4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of F0526-2139
Property Insights of F0526-2139
The XLogP value of 3.9628 indicates that F0526-2139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.27 Ų falls within the moderate polarity range, balancing permeability and solubility for F0526-2139. Following Lipinski's Rule of Five, F0526-2139 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0526-2139?
The CAS number of F0526-2139 is 476367-33-6.
What is the molecular formula of F0526-2139?
The molecular formula of F0526-2139 is C28H28N4O7S2.
What is the molecular weight of F0526-2139?
The molecular weight of F0526-2139 is 596.14 g/mol.
Where can I buy F0526-2139?
You can request a quote for F0526-2139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0526-2139?
Yes, KEHONG BIO provides custom synthesis services for F0526-2139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.