F1838-0584
TL;DR: F1838-0584 (CAS 868973-46-0) is a chemical compound with molecular formula C12H9F3N4O2S2 and molecular weight 362.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide
Also Known As: F1838-0584, N-{5-[(carbamoylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(trifluoromethyl)benzamide, N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide, N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide, N-[5-(carbamoylmethylthio)-1,3,4-thiadiazol-2-yl]m-(trifluoromethyl)benzamide
| Molecular Formula | C12H9F3N4O2S2 |
|---|---|
| Molecular Weight | 362.01 g/mol |
| LogP | 2.3866 |
| Topological Polar Surface Area | 97.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.0119 |
| Heavy Atoms | 23 |
| Complexity | 733.091 |
Chemical Identifiers
| CAS Number | 868973-46-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=NN=C(S2)SCC(=O)N |
Product Overview
F1838-0584 (CAS 868973-46-0), with molecular formula C12H9F3N4O2S2 and molecular weight 362.01 g/mol. IUPAC: N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of F1838-0584
Property Insights of F1838-0584
The XLogP value of 2.3866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1838-0584. The TPSA of 97.97 Ų falls within the moderate polarity range, balancing permeability and solubility for F1838-0584. Following Lipinski's Rule of Five, F1838-0584 has 2 hydrogen bond donor(s) and 6 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 F1838-0584?
The CAS number of F1838-0584 is 868973-46-0.
What is the molecular formula of F1838-0584?
The molecular formula of F1838-0584 is C12H9F3N4O2S2.
What is the molecular weight of F1838-0584?
The molecular weight of F1838-0584 is 362.01 g/mol.
Where can I buy F1838-0584?
You can request a quote for F1838-0584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1838-0584?
Yes, KEHONG BIO provides custom synthesis services for F1838-0584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.