F0545-0551
TL;DR: F0545-0551 (CAS 681276-86-8) is a chemical compound with molecular formula C22H22N4OS3 and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
Also Known As: F0545-0551, N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide, N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)acetamide, N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
| Molecular Formula | C22H22N4OS3 |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 5.69232 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.09558 |
| Heavy Atoms | 30 |
| Complexity | 1150.8766 |
Chemical Identifiers
| CAS Number | 681276-86-8 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C |
Product Overview
F0545-0551 (CAS 681276-86-8), with molecular formula C22H22N4OS3 and molecular weight 454.10 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide.
Chemical Property Profile of F0545-0551
Property Insights of F0545-0551
The XLogP value of 5.69232 indicates that F0545-0551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, F0545-0551 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0545-0551 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0545-0551?
The CAS number of F0545-0551 is 681276-86-8.
What is the molecular formula of F0545-0551?
The molecular formula of F0545-0551 is C22H22N4OS3.
What is the molecular weight of F0545-0551?
The molecular weight of F0545-0551 is 454.10 g/mol.
Where can I buy F0545-0551?
You can request a quote for F0545-0551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0551?
Yes, KEHONG BIO provides custom synthesis services for F0545-0551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.