F0544-0164
TL;DR: F0544-0164 (CAS 450346-86-8) is a chemical compound with molecular formula C18H21N5O2S2 and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-2-sulfanylidene-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
Also Known As: F0544-0164, 3-((8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxo-2,3,6,7-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
| Molecular Formula | C18H21N5O2S2 |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 1.452 |
| Topological Polar Surface Area | 61.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.11368 |
| Heavy Atoms | 27 |
| Complexity | 897.98334 |
Chemical Identifiers
| CAS Number | 450346-86-8 |
|---|---|
| SMILES | C1CC(=O)N=C2N(C1)N(C(=S)S2)CN3CC4CC(C3)C5=CC=CC(=O)N5C4 |
Product Overview
F0544-0164 (CAS 450346-86-8), with molecular formula C18H21N5O2S2 and molecular weight 403.11 g/mol. IUPAC: 3-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-2-sulfanylidene-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one.
Chemical Property Profile of F0544-0164
Property Insights of F0544-0164
The XLogP value of 1.452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0544-0164. The TPSA of 61.15 Ų falls within the moderate polarity range, balancing permeability and solubility for F0544-0164. Following Lipinski's Rule of Five, F0544-0164 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 F0544-0164?
The CAS number of F0544-0164 is 450346-86-8.
What is the molecular formula of F0544-0164?
The molecular formula of F0544-0164 is C18H21N5O2S2.
What is the molecular weight of F0544-0164?
The molecular weight of F0544-0164 is 403.11 g/mol.
Where can I buy F0544-0164?
You can request a quote for F0544-0164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0544-0164?
Yes, KEHONG BIO provides custom synthesis services for F0544-0164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.