F0817-0112
TL;DR: F0817-0112 (CAS 477503-39-2) is a chemical compound with molecular formula C14H8N4O3S4 and molecular weight 407.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-5-nitrothiophene-2-carboxamide
Also Known As: F0817-0112, N-(7-(methylthio)benzo[1,2-d:4,3-d']bis(thiazole)-2-yl)-5-nitrothiophene-2-carboxamide, N-[11-(methylsulfanyl)-3,12-dithia-5,10-diazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,10-pentaen-4-yl]-5-nitrothiophene-2-carboxamide, N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-5-nitrothiophene-2-carboxamide
| Molecular Formula | C14H8N4O3S4 |
|---|---|
| Molecular Weight | 407.95 g/mol |
| LogP | 4.8499 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.94794 |
| Heavy Atoms | 25 |
| Complexity | 1129.9146 |
Chemical Identifiers
| CAS Number | 477503-39-2 |
|---|---|
| SMILES | CSC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(S4)[N+](=O)[O-] |
Product Overview
F0817-0112 (CAS 477503-39-2), with molecular formula C14H8N4O3S4 and molecular weight 407.95 g/mol. IUPAC: N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-5-nitrothiophene-2-carboxamide.
Chemical Property Profile of F0817-0112
Property Insights of F0817-0112
The XLogP value of 4.8499 indicates that F0817-0112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for F0817-0112. Following Lipinski's Rule of Five, F0817-0112 has 1 hydrogen bond donor(s) and 9 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 F0817-0112?
The CAS number of F0817-0112 is 477503-39-2.
What is the molecular formula of F0817-0112?
The molecular formula of F0817-0112 is C14H8N4O3S4.
What is the molecular weight of F0817-0112?
The molecular weight of F0817-0112 is 407.95 g/mol.
Where can I buy F0817-0112?
You can request a quote for F0817-0112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0817-0112?
Yes, KEHONG BIO provides custom synthesis services for F0817-0112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.