F1016-0850
TL;DR: F1016-0850 (CAS 403844-97-3) is a chemical compound with molecular formula C21H22N2O5S3 and molecular weight 478.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: F1016-0850, diethyl 5-(2-(benzo[d]thiazol-2-ylthio)propanamido)-3-methylthiophene-2,4-dicarboxylate, 2,4-diethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)propanamido]-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate, Diethyl 5-(2-benzothiazol-2-ylsulfanylpropanoylamino)-3-methyl-thiophene-2,4-dicarboxylate
| Molecular Formula | C21H22N2O5S3 |
|---|---|
| Molecular Weight | 478.07 g/mol |
| LogP | 5.13892 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.0691 |
| Heavy Atoms | 31 |
| Complexity | 1088.6158 |
Chemical Identifiers
| CAS Number | 403844-97-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NC3=CC=CC=C3S2 |
Product Overview
F1016-0850 (CAS 403844-97-3), with molecular formula C21H22N2O5S3 and molecular weight 478.07 g/mol. IUPAC: diethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of F1016-0850
Property Insights of F1016-0850
The XLogP value of 5.13892 indicates that F1016-0850 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for F1016-0850. Following Lipinski's Rule of Five, F1016-0850 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1016-0850?
The CAS number of F1016-0850 is 403844-97-3.
What is the molecular formula of F1016-0850?
The molecular formula of F1016-0850 is C21H22N2O5S3.
What is the molecular weight of F1016-0850?
The molecular weight of F1016-0850 is 478.07 g/mol.
Where can I buy F1016-0850?
You can request a quote for F1016-0850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1016-0850?
Yes, KEHONG BIO provides custom synthesis services for F1016-0850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.