F1227-0040
TL;DR: F1227-0040 (CAS 496777-61-8) is a chemical compound with molecular formula C24H26N4O5S2 and molecular weight 514.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F1227-0040, ethyl 2-(2-((5-(benzo[d][1,3]dioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-(2-{[5-(2H-1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[5-(2H-1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-ylthio]methyl}carbonylamino)-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate
| Molecular Formula | C24H26N4O5S2 |
|---|---|
| Molecular Weight | 514.13 g/mol |
| LogP | 4.5415 |
| Topological Polar Surface Area | 104.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.13446 |
| Heavy Atoms | 35 |
| Complexity | 1269.0833 |
Chemical Identifiers
| CAS Number | 496777-61-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C4=CC5=C(C=C4)OCO5 |
Product Overview
F1227-0040 (CAS 496777-61-8), with molecular formula C24H26N4O5S2 and molecular weight 514.13 g/mol. IUPAC: ethyl 2-[[2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F1227-0040
Property Insights of F1227-0040
The XLogP value of 4.5415 indicates that F1227-0040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.57 Ų falls within the moderate polarity range, balancing permeability and solubility for F1227-0040. Following Lipinski's Rule of Five, F1227-0040 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 F1227-0040?
The CAS number of F1227-0040 is 496777-61-8.
What is the molecular formula of F1227-0040?
The molecular formula of F1227-0040 is C24H26N4O5S2.
What is the molecular weight of F1227-0040?
The molecular weight of F1227-0040 is 514.13 g/mol.
Where can I buy F1227-0040?
You can request a quote for F1227-0040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1227-0040?
Yes, KEHONG BIO provides custom synthesis services for F1227-0040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.