F0544-0123
TL;DR: F0544-0123 (CAS 681272-25-3) is a chemical compound with molecular formula C13H20N4OS2 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylpiperidin-1-yl)methyl]-2-sulfanylidene-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
Also Known As: F0544-0123, 3-[(2-methylpiperidin-1-yl)methyl]-2-sulfanylidene-2H,3H,5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one, 3-((2-methylpiperidin-1-yl)methyl)-2-thioxo-2,3,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one, 3-[(2-methylpiperidin-1-yl)methyl]-2-sulfanylidene-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one, 10-[(2-methyl-1-piperidyl)methyl]-9-sulfanylidene-8-thia-1,6,10-triazabicyclo[5.3.0]dec-6-en-5-one
| Molecular Formula | C13H20N4OS2 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 2.0454 |
| Topological Polar Surface Area | 39.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.10785 |
| Heavy Atoms | 20 |
| Complexity | 453.6521 |
Chemical Identifiers
| CAS Number | 681272-25-3 |
|---|---|
| SMILES | CC1CCCCN1CN2C(=S)SC3=NC(=O)CCCN32 |
Product Overview
F0544-0123 (CAS 681272-25-3), with molecular formula C13H20N4OS2 and molecular weight 312.11 g/mol. IUPAC: 3-[(2-methylpiperidin-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 F0544-0123
Property Insights of F0544-0123
The XLogP value of 2.0454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0544-0123. With a topological polar surface area (TPSA) of 39.15 Ų, F0544-0123 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0544-0123 has 0 hydrogen bond donor(s) and 5 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 F0544-0123?
The CAS number of F0544-0123 is 681272-25-3.
What is the molecular formula of F0544-0123?
The molecular formula of F0544-0123 is C13H20N4OS2.
What is the molecular weight of F0544-0123?
The molecular weight of F0544-0123 is 312.11 g/mol.
Where can I buy F0544-0123?
You can request a quote for F0544-0123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0544-0123?
Yes, KEHONG BIO provides custom synthesis services for F0544-0123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.