F1016-0844
TL;DR: F1016-0844 (CAS 403844-93-9) is a chemical compound with molecular formula C20H20N2O3S3 and molecular weight 432.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: F1016-0844, ethyl 2-(2-(benzo[d]thiazol-2-ylthio)propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 3-[2-(1,3-benzothiazol-2-ylthio)propionylamino]-2-thiabicyclo[3.3.0]octa-1(5),3-diene-4-carboxylate
| Molecular Formula | C20H20N2O3S3 |
|---|---|
| Molecular Weight | 432.06 g/mol |
| LogP | 5.1425 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.0636 |
| Heavy Atoms | 28 |
| Complexity | 1007.67206 |
Chemical Identifiers
| CAS Number | 403844-93-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NC4=CC=CC=C4S3 |
Product Overview
F1016-0844 (CAS 403844-93-9), with molecular formula C20H20N2O3S3 and molecular weight 432.06 g/mol. IUPAC: ethyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of F1016-0844
Property Insights of F1016-0844
The XLogP value of 5.1425 indicates that F1016-0844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F1016-0844. Following Lipinski's Rule of Five, F1016-0844 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1016-0844?
The CAS number of F1016-0844 is 403844-93-9.
What is the molecular formula of F1016-0844?
The molecular formula of F1016-0844 is C20H20N2O3S3.
What is the molecular weight of F1016-0844?
The molecular weight of F1016-0844 is 432.06 g/mol.
Where can I buy F1016-0844?
You can request a quote for F1016-0844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1016-0844?
Yes, KEHONG BIO provides custom synthesis services for F1016-0844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.