F0617-0042
TL;DR: F0617-0042 (CAS 851412-96-9) is a chemical compound with molecular formula C28H29N3O2S and molecular weight 471.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[2-[3-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide
Also Known As: F0617-0042, 2-methyl-N-(2-(3-((2-oxo-2-(phenethylamino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide, 2-methyl-N-{2-[3-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide, N-phenethyl{1-[2-(o-toluoylamino)ethyl]-3-indolylthio}acetamide, 2-methyl-N-[2-[3-(phenethylcarbamoylmethylsulfanyl)indol-1-yl]ethyl]benzamide
| Molecular Formula | C28H29N3O2S |
|---|---|
| Molecular Weight | 471.20 g/mol |
| LogP | 4.83072 |
| Topological Polar Surface Area | 63.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 471.19806 |
| Heavy Atoms | 34 |
| Complexity | 1267.1426 |
Chemical Identifiers
| CAS Number | 851412-96-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCCC4=CC=CC=C4 |
Product Overview
F0617-0042 (CAS 851412-96-9), with molecular formula C28H29N3O2S and molecular weight 471.20 g/mol. IUPAC: 2-methyl-N-[2-[3-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide.
Chemical Property Profile of F0617-0042
Property Insights of F0617-0042
The XLogP value of 4.83072 indicates that F0617-0042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.13 Ų falls within the moderate polarity range, balancing permeability and solubility for F0617-0042. Following Lipinski's Rule of Five, F0617-0042 has 2 hydrogen bond donor(s) and 3 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 F0617-0042?
The CAS number of F0617-0042 is 851412-96-9.
What is the molecular formula of F0617-0042?
The molecular formula of F0617-0042 is C28H29N3O2S.
What is the molecular weight of F0617-0042?
The molecular weight of F0617-0042 is 471.20 g/mol.
Where can I buy F0617-0042?
You can request a quote for F0617-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0617-0042?
Yes, KEHONG BIO provides custom synthesis services for F0617-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.