F0544-0096
TL;DR: F0544-0096 (CAS 681272-00-4) is a chemical compound with molecular formula C15H26N4OS2 and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[di(butan-2-yl)amino]methyl]-2-sulfanylidene-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
Also Known As: F0544-0096, 10-[(dibutan-2-ylamino)methyl]-9-sulfanylidene-8-thia-1,6,10-triazabicyclo[5.3.0]dec-6-en-5-one, 3-((di-sec-butylamino)methyl)-2-thioxo-2,3,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one, 3-[(di-sec-butylamino)methyl]-2-thioxo-1-thia-3,3a,8-triaza-3,4,5,6-tetrahydro-7(2H)-azulenone, 3-[[di(butan-2-yl)amino]methyl]-2-sulfanylidene-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
| Molecular Formula | C15H26N4OS2 |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.07 |
| Topological Polar Surface Area | 39.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.15482 |
| Heavy Atoms | 22 |
| Complexity | 458.4588 |
Chemical Identifiers
| CAS Number | 681272-00-4 |
|---|---|
| SMILES | CCC(C)N(CN1C(=S)SC2=NC(=O)CCCN21)C(C)CC |
Product Overview
F0544-0096 (CAS 681272-00-4), with molecular formula C15H26N4OS2 and molecular weight 342.15 g/mol. IUPAC: 3-[[di(butan-2-yl)amino]methyl]-2-sulfanylidene-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one.
Chemical Property Profile of F0544-0096
Property Insights of F0544-0096
The XLogP value of 3.07 indicates that F0544-0096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.15 Ų, F0544-0096 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0544-0096 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 F0544-0096?
The CAS number of F0544-0096 is 681272-00-4.
What is the molecular formula of F0544-0096?
The molecular formula of F0544-0096 is C15H26N4OS2.
What is the molecular weight of F0544-0096?
The molecular weight of F0544-0096 is 342.15 g/mol.
Where can I buy F0544-0096?
You can request a quote for F0544-0096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0544-0096?
Yes, KEHONG BIO provides custom synthesis services for F0544-0096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.