F0544-0142
TL;DR: F0544-0142 (CAS 681273-07-4) is a chemical compound with molecular formula C17H21N5OS2 and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-phenylpiperazin-1-yl)methyl]-2-sulfanylidene-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
Also Known As: F0544-0142, 3-[(4-phenylpiperazin-1-yl)methyl]-2-sulfanylidene-2H,3H,5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one, 3-[(4-phenylpiperazin-1-yl)methyl]-2-sulfanylidene-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one, 3-((4-phenylpiperazin-1-yl)methyl)-2-thioxo-2,3,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one, 3-[(4-phenyl-1-piperazinyl)methyl]-2-thioxo-1-thia-3,3a,8-triaza-3,4,5,6-tetrahydro-7(2H)-azulenone
| Molecular Formula | C17H21N5OS2 |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 1.9932 |
| Topological Polar Surface Area | 42.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.11874 |
| Heavy Atoms | 25 |
| Complexity | 687.53845 |
Chemical Identifiers
| CAS Number | 681273-07-4 |
|---|---|
| SMILES | C1CC(=O)N=C2N(C1)N(C(=S)S2)CN3CCN(CC3)C4=CC=CC=C4 |
Product Overview
F0544-0142 (CAS 681273-07-4), with molecular formula C17H21N5OS2 and molecular weight 375.12 g/mol. IUPAC: 3-[(4-phenylpiperazin-1-yl)methyl]-2-sulfanylidene-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one.
Chemical Property Profile of F0544-0142
Property Insights of F0544-0142
The XLogP value of 1.9932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0544-0142. With a topological polar surface area (TPSA) of 42.39 Ų, F0544-0142 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0544-0142 has 0 hydrogen bond donor(s) and 6 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 F0544-0142?
The CAS number of F0544-0142 is 681273-07-4.
What is the molecular formula of F0544-0142?
The molecular formula of F0544-0142 is C17H21N5OS2.
What is the molecular weight of F0544-0142?
The molecular weight of F0544-0142 is 375.12 g/mol.
Where can I buy F0544-0142?
You can request a quote for F0544-0142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0544-0142?
Yes, KEHONG BIO provides custom synthesis services for F0544-0142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.