F0558-0037
TL;DR: F0558-0037 (CAS 681222-52-6) is a chemical compound with molecular formula C18H18N4O2S3 and molecular weight 418.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
Also Known As: F0558-0037, N-(4-(4-ethylphenyl)thiazol-2-yl)-2-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)acetamide, N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)acetamide, 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide, N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-thiazol-2-ylcarbamoylmethylsulfanyl)acetamide
| Molecular Formula | C18H18N4O2S3 |
|---|---|
| Molecular Weight | 418.06 g/mol |
| LogP | 4.1394 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.0592 |
| Heavy Atoms | 27 |
| Complexity | 891.73975 |
Chemical Identifiers
| CAS Number | 681222-52-6 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSCC(=O)NC3=NC=CS3 |
Product Overview
F0558-0037 (CAS 681222-52-6), with molecular formula C18H18N4O2S3 and molecular weight 418.06 g/mol. IUPAC: 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of F0558-0037
Property Insights of F0558-0037
The XLogP value of 4.1394 indicates that F0558-0037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for F0558-0037. Following Lipinski's Rule of Five, F0558-0037 has 2 hydrogen bond donor(s) and 7 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 F0558-0037?
The CAS number of F0558-0037 is 681222-52-6.
What is the molecular formula of F0558-0037?
The molecular formula of F0558-0037 is C18H18N4O2S3.
What is the molecular weight of F0558-0037?
The molecular weight of F0558-0037 is 418.06 g/mol.
Where can I buy F0558-0037?
You can request a quote for F0558-0037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0558-0037?
Yes, KEHONG BIO provides custom synthesis services for F0558-0037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.