F0544-0061
TL;DR: F0544-0061 (CAS 450346-74-4) is a chemical compound with molecular formula C18H20N4O4S3 and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: F0544-0061, ethyl 2-[[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-({[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-(2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-[2-({8-OXO-5H,6H,7H,8H-[1,3,4]THIADIAZOLO[3,2-A][1,3]DIAZEPIN-2-YL}SULFANYL)ACETAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H20N4O4S3 |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 3.0814 |
| Topological Polar Surface Area | 100.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.06467 |
| Heavy Atoms | 29 |
| Complexity | 924.45233 |
Chemical Identifiers
| CAS Number | 450346-74-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN4CCCC(=O)N=C4S3 |
Product Overview
F0544-0061 (CAS 450346-74-4), with molecular formula C18H20N4O4S3 and molecular weight 452.06 g/mol. IUPAC: ethyl 2-[[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of F0544-0061
Property Insights of F0544-0061
The XLogP value of 3.0814 indicates that F0544-0061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.43 Ų falls within the moderate polarity range, balancing permeability and solubility for F0544-0061. Following Lipinski's Rule of Five, F0544-0061 has 1 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 F0544-0061?
The CAS number of F0544-0061 is 450346-74-4.
What is the molecular formula of F0544-0061?
The molecular formula of F0544-0061 is C18H20N4O4S3.
What is the molecular weight of F0544-0061?
The molecular weight of F0544-0061 is 452.06 g/mol.
Where can I buy F0544-0061?
You can request a quote for F0544-0061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0544-0061?
Yes, KEHONG BIO provides custom synthesis services for F0544-0061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.