F0817-0136
TL;DR: F0817-0136 (CAS 477503-52-9) is a chemical compound with molecular formula C22H18N6O3S4 and molecular weight 542.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
Also Known As: F0817-0136, 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(7-(methylthio)benzo[1,2-d:4,3-d']bis(thiazole)-2-yl)benzamide, 4-[bis(2-cyanoethyl)sulfamoyl]-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]benzamide, 4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
| Molecular Formula | C22H18N6O3S4 |
|---|---|
| Molecular Weight | 542.03 g/mol |
| LogP | 4.69826 |
| Topological Polar Surface Area | 139.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.03235 |
| Heavy Atoms | 35 |
| Complexity | 1561.6896 |
Chemical Identifiers
| CAS Number | 477503-52-9 |
|---|---|
| SMILES | CSC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N |
Product Overview
F0817-0136 (CAS 477503-52-9), with molecular formula C22H18N6O3S4 and molecular weight 542.03 g/mol. IUPAC: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide.
Chemical Property Profile of F0817-0136
Property Insights of F0817-0136
The XLogP value of 4.69826 indicates that F0817-0136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.84 Ų falls within the moderate polarity range, balancing permeability and solubility for F0817-0136. Following Lipinski's Rule of Five, F0817-0136 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0817-0136?
The CAS number of F0817-0136 is 477503-52-9.
What is the molecular formula of F0817-0136?
The molecular formula of F0817-0136 is C22H18N6O3S4.
What is the molecular weight of F0817-0136?
The molecular weight of F0817-0136 is 542.03 g/mol.
Where can I buy F0817-0136?
You can request a quote for F0817-0136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0817-0136?
Yes, KEHONG BIO provides custom synthesis services for F0817-0136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.