F0834-0518
TL;DR: F0834-0518 (CAS 398998-87-3) is a chemical compound with molecular formula C24H28N4O5S2 and molecular weight 516.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: F0834-0518, ethyl 4-((4-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-{4-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzenesulfonyl}piperazine-1-carboxylate, ethyl 4-[4-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
| Molecular Formula | C24H28N4O5S2 |
|---|---|
| Molecular Weight | 516.15 g/mol |
| LogP | 3.45968 |
| Topological Polar Surface Area | 119.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.1501 |
| Heavy Atoms | 35 |
| Complexity | 1256.0632 |
Chemical Identifiers
| CAS Number | 398998-87-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CC(CC4)C)C#N |
Product Overview
F0834-0518 (CAS 398998-87-3), with molecular formula C24H28N4O5S2 and molecular weight 516.15 g/mol. IUPAC: ethyl 4-[4-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of F0834-0518
Property Insights of F0834-0518
The XLogP value of 3.45968 indicates that F0834-0518 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F0834-0518. Following Lipinski's Rule of Five, F0834-0518 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 F0834-0518?
The CAS number of F0834-0518 is 398998-87-3.
What is the molecular formula of F0834-0518?
The molecular formula of F0834-0518 is C24H28N4O5S2.
What is the molecular weight of F0834-0518?
The molecular weight of F0834-0518 is 516.15 g/mol.
Where can I buy F0834-0518?
You can request a quote for F0834-0518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0834-0518?
Yes, KEHONG BIO provides custom synthesis services for F0834-0518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.