F1017-0095
TL;DR: F1017-0095 (CAS 477580-35-1) is a chemical compound with molecular formula C20H26N4O4S3 and molecular weight 482.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F1017-0095, ethyl 2-(2-((5-pivalamido-1,3,4-thiadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-(2-{[5-(2,2-dimethylpropanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H26N4O4S3 |
|---|---|
| Molecular Weight | 482.11 g/mol |
| LogP | 4.3705 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.11163 |
| Heavy Atoms | 31 |
| Complexity | 977.71857 |
Chemical Identifiers
| CAS Number | 477580-35-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(S3)NC(=O)C(C)(C)C |
Product Overview
F1017-0095 (CAS 477580-35-1), with molecular formula C20H26N4O4S3 and molecular weight 482.11 g/mol. IUPAC: ethyl 2-[[2-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F1017-0095
Property Insights of F1017-0095
The XLogP value of 4.3705 indicates that F1017-0095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.28 Ų falls within the moderate polarity range, balancing permeability and solubility for F1017-0095. Following Lipinski's Rule of Five, F1017-0095 has 2 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 F1017-0095?
The CAS number of F1017-0095 is 477580-35-1.
What is the molecular formula of F1017-0095?
The molecular formula of F1017-0095 is C20H26N4O4S3.
What is the molecular weight of F1017-0095?
The molecular weight of F1017-0095 is 482.11 g/mol.
Where can I buy F1017-0095?
You can request a quote for F1017-0095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1017-0095?
Yes, KEHONG BIO provides custom synthesis services for F1017-0095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.