F0545-0694
TL;DR: F0545-0694 (CAS 681279-49-2) is a chemical compound with molecular formula C26H31N3O3S and molecular weight 465.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate
Also Known As: F0545-0694, ethyl 4-(2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate, Ethyl 4-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate, ethyl 4-[2-({1-[(2,5-dimethylphenyl)methyl]-1H-indol-3-yl}sulfanyl)acetyl]piperazine-1-carboxylate
| Molecular Formula | C26H31N3O3S |
|---|---|
| Molecular Weight | 465.21 g/mol |
| LogP | 4.69924 |
| Topological Polar Surface Area | 54.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.20862 |
| Heavy Atoms | 33 |
| Complexity | 1148.8896 |
Chemical Identifiers
| CAS Number | 681279-49-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=C(C=CC(=C4)C)C |
Product Overview
F0545-0694 (CAS 681279-49-2), with molecular formula C26H31N3O3S and molecular weight 465.21 g/mol. IUPAC: ethyl 4-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate.
Chemical Property Profile of F0545-0694
Property Insights of F0545-0694
The XLogP value of 4.69924 indicates that F0545-0694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.78 Ų, F0545-0694 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0545-0694 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0545-0694?
The CAS number of F0545-0694 is 681279-49-2.
What is the molecular formula of F0545-0694?
The molecular formula of F0545-0694 is C26H31N3O3S.
What is the molecular weight of F0545-0694?
The molecular weight of F0545-0694 is 465.21 g/mol.
Where can I buy F0545-0694?
You can request a quote for F0545-0694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0694?
Yes, KEHONG BIO provides custom synthesis services for F0545-0694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.