F0554-0091
TL;DR: F0554-0091 (CAS 532970-33-5) is a chemical compound with molecular formula C27H25N3O4S and molecular weight 487.16 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-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methylbenzamide
Also Known As: F0554-0091, N-(2-(3-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-2-methylbenzamide, N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methylbenzamide, N-{2-[3-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-2-methylbenzamide, N-[2-[3-(benzo[1,3]dioxol-5-ylcarbamoylmethylsulfanyl)indol-1-yl]ethyl]-2-methyl-benzamide
| Molecular Formula | C27H25N3O4S |
|---|---|
| Molecular Weight | 487.16 g/mol |
| LogP | 4.83922 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.1566 |
| Heavy Atoms | 35 |
| Complexity | 1398.4628 |
Chemical Identifiers
| CAS Number | 532970-33-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC5=C(C=C4)OCO5 |
Product Overview
F0554-0091 (CAS 532970-33-5), with molecular formula C27H25N3O4S and molecular weight 487.16 g/mol. IUPAC: N-[2-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methylbenzamide.
Chemical Property Profile of F0554-0091
Property Insights of F0554-0091
The XLogP value of 4.83922 indicates that F0554-0091 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 F0554-0091. Following Lipinski's Rule of Five, F0554-0091 has 2 hydrogen bond donor(s) and 5 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 F0554-0091?
The CAS number of F0554-0091 is 532970-33-5.
What is the molecular formula of F0554-0091?
The molecular formula of F0554-0091 is C27H25N3O4S.
What is the molecular weight of F0554-0091?
The molecular weight of F0554-0091 is 487.16 g/mol.
Where can I buy F0554-0091?
You can request a quote for F0554-0091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0554-0091?
Yes, KEHONG BIO provides custom synthesis services for F0554-0091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.