F0554-0492
TL;DR: F0554-0492 (CAS 532973-69-6) is a chemical compound with molecular formula C29H30N4O6S and molecular weight 562.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide
Also Known As: F0554-0492, N-(2-(3-((2-((3,4-dimethoxyphenethyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-nitrobenzamide, N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-nitrobenzamide, N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide, N-[2-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoylmethylsulfanyl]indol-1-yl]ethyl]-4-nitro-benzamide
| Molecular Formula | C29H30N4O6S |
|---|---|
| Molecular Weight | 562.19 g/mol |
| LogP | 4.4477 |
| Topological Polar Surface Area | 124.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 562.1886 |
| Heavy Atoms | 40 |
| Complexity | 1502.444 |
Chemical Identifiers
| CAS Number | 532973-69-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
F0554-0492 (CAS 532973-69-6), with molecular formula C29H30N4O6S and molecular weight 562.19 g/mol. IUPAC: N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-nitrobenzamide.
Chemical Property Profile of F0554-0492
Property Insights of F0554-0492
The XLogP value of 4.4477 indicates that F0554-0492 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.73 Ų falls within the moderate polarity range, balancing permeability and solubility for F0554-0492. Following Lipinski's Rule of Five, F0554-0492 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0554-0492?
The CAS number of F0554-0492 is 532973-69-6.
What is the molecular formula of F0554-0492?
The molecular formula of F0554-0492 is C29H30N4O6S.
What is the molecular weight of F0554-0492?
The molecular weight of F0554-0492 is 562.19 g/mol.
Where can I buy F0554-0492?
You can request a quote for F0554-0492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0554-0492?
Yes, KEHONG BIO provides custom synthesis services for F0554-0492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.