F3116-0072
TL;DR: F3116-0072 (CAS 852696-87-8) is a chemical compound with molecular formula C23H24N2O4S3 and molecular weight 488.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F3116-0072, ETHYL 2-(2-{[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]SULFANYL}ACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-(2-((4-(4-methoxyphenyl)thiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[4-(p-methoxyphenyl)-1,3-thiazol-2-ylthio]methyl}carbonylamino)-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate
| Molecular Formula | C23H24N2O4S3 |
|---|---|
| Molecular Weight | 488.09 g/mol |
| LogP | 5.6665 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.0898 |
| Heavy Atoms | 32 |
| Complexity | 1105.147 |
Chemical Identifiers
| CAS Number | 852696-87-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CS3)C4=CC=C(C=C4)OC |
Product Overview
F3116-0072 (CAS 852696-87-8), with molecular formula C23H24N2O4S3 and molecular weight 488.09 g/mol. IUPAC: ethyl 2-[[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F3116-0072
Property Insights of F3116-0072
The XLogP value of 5.6665 indicates that F3116-0072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for F3116-0072. Following Lipinski's Rule of Five, F3116-0072 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3116-0072?
The CAS number of F3116-0072 is 852696-87-8.
What is the molecular formula of F3116-0072?
The molecular formula of F3116-0072 is C23H24N2O4S3.
What is the molecular weight of F3116-0072?
The molecular weight of F3116-0072 is 488.09 g/mol.
Where can I buy F3116-0072?
You can request a quote for F3116-0072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3116-0072?
Yes, KEHONG BIO provides custom synthesis services for F3116-0072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.