F0617-0440
TL;DR: F0617-0440 (CAS 896676-83-8) is a chemical compound with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methylbenzamide
Also Known As: F0617-0440, N-(2-(3-((2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methylbenzamide, N-(2-{3-[({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-methylbenzamide, N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methylbenzamide, N-[2-[3-(benzo[1,3]dioxol-5-ylmethylcarbamoylmethylsulfanyl)indol-1-yl]ethyl]-4-methyl-benzamide
| Molecular Formula | C28H27N3O4S |
|---|---|
| Molecular Weight | 501.17 g/mol |
| LogP | 4.51692 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.17224 |
| Heavy Atoms | 36 |
| Complexity | 1397.9495 |
Chemical Identifiers
| CAS Number | 896676-83-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC5=C(C=C4)OCO5 |
Product Overview
F0617-0440 (CAS 896676-83-8), with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol. IUPAC: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methylbenzamide.
Chemical Property Profile of F0617-0440
Property Insights of F0617-0440
The XLogP value of 4.51692 indicates that F0617-0440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F0617-0440. Following Lipinski's Rule of Five, F0617-0440 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0617-0440?
The CAS number of F0617-0440 is 896676-83-8.
What is the molecular formula of F0617-0440?
The molecular formula of F0617-0440 is C28H27N3O4S.
What is the molecular weight of F0617-0440?
The molecular weight of F0617-0440 is 501.17 g/mol.
Where can I buy F0617-0440?
You can request a quote for F0617-0440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0617-0440?
Yes, KEHONG BIO provides custom synthesis services for F0617-0440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.