F0554-0036
TL;DR: F0554-0036 (CAS 532969-79-2) is a chemical compound with molecular formula C29H31N3O4S and molecular weight 517.20 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]benzamide
Also Known As: F0554-0036, N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide, N-(2-(3-((2-((3,4-dimethoxyphenethyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)benzamide, N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide, N-[2-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoylmethylsulfanyl]indol-1-yl]ethyl]benzamide
| Molecular Formula | C29H31N3O4S |
|---|---|
| Molecular Weight | 517.20 g/mol |
| LogP | 4.5395 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 517.20355 |
| Heavy Atoms | 37 |
| Complexity | 1354.038 |
Chemical Identifiers
| CAS Number | 532969-79-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4)OC |
Product Overview
F0554-0036 (CAS 532969-79-2), with molecular formula C29H31N3O4S and molecular weight 517.20 g/mol. IUPAC: N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide.
Chemical Property Profile of F0554-0036
Property Insights of F0554-0036
The XLogP value of 4.5395 indicates that F0554-0036 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 F0554-0036. Following Lipinski's Rule of Five, F0554-0036 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 F0554-0036?
The CAS number of F0554-0036 is 532969-79-2.
What is the molecular formula of F0554-0036?
The molecular formula of F0554-0036 is C29H31N3O4S.
What is the molecular weight of F0554-0036?
The molecular weight of F0554-0036 is 517.20 g/mol.
Where can I buy F0554-0036?
You can request a quote for F0554-0036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0554-0036?
Yes, KEHONG BIO provides custom synthesis services for F0554-0036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.