F1017-0136
TL;DR: F1017-0136 (CAS 477580-76-0) is a chemical compound with molecular formula C18H22N4O4S3 and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F1017-0136, ethyl 2-{2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H22N4O4S3 |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 3.7328 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.08032 |
| Heavy Atoms | 29 |
| Complexity | 924.3481 |
Chemical Identifiers
| CAS Number | 477580-76-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NN=C(S3)NC(=O)C |
Product Overview
F1017-0136 (CAS 477580-76-0), with molecular formula C18H22N4O4S3 and molecular weight 454.08 g/mol. IUPAC: ethyl 2-[2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F1017-0136
Property Insights of F1017-0136
The XLogP value of 3.7328 indicates that F1017-0136 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 F1017-0136. Following Lipinski's Rule of Five, F1017-0136 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 F1017-0136?
The CAS number of F1017-0136 is 477580-76-0.
What is the molecular formula of F1017-0136?
The molecular formula of F1017-0136 is C18H22N4O4S3.
What is the molecular weight of F1017-0136?
The molecular weight of F1017-0136 is 454.08 g/mol.
Where can I buy F1017-0136?
You can request a quote for F1017-0136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1017-0136?
Yes, KEHONG BIO provides custom synthesis services for F1017-0136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.