F0544-0066
TL;DR: F0544-0066 (CAS 497063-90-8) is a chemical compound with molecular formula C20H24N4O6S3 and molecular weight 512.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate
Also Known As: F0544-0066, diethyl 3-methyl-5-(2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)propanamido)thiophene-2,4-dicarboxylate, 2,4-diethyl 3-methyl-5-[2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl}sulfanyl)propanamido]thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate
| Molecular Formula | C20H24N4O6S3 |
|---|---|
| Molecular Weight | 512.09 g/mol |
| LogP | 3.46632 |
| Topological Polar Surface Area | 126.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.0858 |
| Heavy Atoms | 33 |
| Complexity | 1035.2354 |
Chemical Identifiers
| CAS Number | 497063-90-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN3CCCC(=O)N=C3S2 |
Product Overview
F0544-0066 (CAS 497063-90-8), with molecular formula C20H24N4O6S3 and molecular weight 512.09 g/mol. IUPAC: diethyl 3-methyl-5-[2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of F0544-0066
Property Insights of F0544-0066
The XLogP value of 3.46632 indicates that F0544-0066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.73 Ų falls within the moderate polarity range, balancing permeability and solubility for F0544-0066. Following Lipinski's Rule of Five, F0544-0066 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0544-0066?
The CAS number of F0544-0066 is 497063-90-8.
What is the molecular formula of F0544-0066?
The molecular formula of F0544-0066 is C20H24N4O6S3.
What is the molecular weight of F0544-0066?
The molecular weight of F0544-0066 is 512.09 g/mol.
Where can I buy F0544-0066?
You can request a quote for F0544-0066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0544-0066?
Yes, KEHONG BIO provides custom synthesis services for F0544-0066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.