F1017-0230
TL;DR: F1017-0230 (CAS 477594-73-3) is a chemical compound with molecular formula C21H28N4O4S3 and molecular weight 496.13 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]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: F1017-0230, ethyl 2-(2-((5-pivalamido-1,3,4-thiadiazol-2-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(2-{[5-(2,2-dimethylpropanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[2-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C21H28N4O4S3 |
|---|---|
| Molecular Weight | 496.13 g/mol |
| LogP | 4.7606 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.12726 |
| Heavy Atoms | 32 |
| Complexity | 993.82214 |
Chemical Identifiers
| CAS Number | 477594-73-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(S3)NC(=O)C(C)(C)C |
Product Overview
F1017-0230 (CAS 477594-73-3), with molecular formula C21H28N4O4S3 and molecular weight 496.13 g/mol. IUPAC: ethyl 2-[[2-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of F1017-0230
Property Insights of F1017-0230
The XLogP value of 4.7606 indicates that F1017-0230 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 F1017-0230. Following Lipinski's Rule of Five, F1017-0230 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 F1017-0230?
The CAS number of F1017-0230 is 477594-73-3.
What is the molecular formula of F1017-0230?
The molecular formula of F1017-0230 is C21H28N4O4S3.
What is the molecular weight of F1017-0230?
The molecular weight of F1017-0230 is 496.13 g/mol.
Where can I buy F1017-0230?
You can request a quote for F1017-0230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1017-0230?
Yes, KEHONG BIO provides custom synthesis services for F1017-0230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.