F1227-0029
TL;DR: F1227-0029 (CAS 496777-49-2) is a chemical compound with molecular formula C31H34N4O5S and molecular weight 574.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F1227-0029, ethyl 2-(2-(4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazin-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)piperazin-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[({4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazin-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C31H34N4O5S |
|---|---|
| Molecular Weight | 574.23 g/mol |
| LogP | 3.8091 |
| Topological Polar Surface Area | 99.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 574.225 |
| Heavy Atoms | 41 |
| Complexity | 1473.4285 |
Chemical Identifiers
| CAS Number | 496777-49-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCN(CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
F1227-0029 (CAS 496777-49-2), with molecular formula C31H34N4O5S and molecular weight 574.23 g/mol. IUPAC: ethyl 2-[[2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F1227-0029
Property Insights of F1227-0029
The XLogP value of 3.8091 indicates that F1227-0029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.26 Ų falls within the moderate polarity range, balancing permeability and solubility for F1227-0029. Following Lipinski's Rule of Five, F1227-0029 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1227-0029?
The CAS number of F1227-0029 is 496777-49-2.
What is the molecular formula of F1227-0029?
The molecular formula of F1227-0029 is C31H34N4O5S.
What is the molecular weight of F1227-0029?
The molecular weight of F1227-0029 is 574.23 g/mol.
Where can I buy F1227-0029?
You can request a quote for F1227-0029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1227-0029?
Yes, KEHONG BIO provides custom synthesis services for F1227-0029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.