Fla 69
TL;DR: Fla 69 (CAS 77242-25-2) is a chemical compound with molecular formula C8H16N2S2 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Fla 69
5-methyl-1,5-diazocane-1-carbodithioic acid
Also Known As: Fla 69, starbld0006913, 5-methyl-1,5-diazocane-1-carbodithioic acid, 1,5-Diazocine-1(2H)-carbodithioic acid, hexahydro-5-methyl-, 1-Methyloctahydro-1,5-diazocin-5-dithiocarboxylic acid
| Molecular Formula | C8H16N2S2 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.07549 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 77242-25-2 |
|---|---|
| SMILES | CN1CCCN(CCC1)C(=S)S |
| InChIKey | GNXFLKKYOQQUEH-UHFFFAOYSA-N |
Product Overview
Fla 69 (CAS 77242-25-2), with molecular formula C8H16N2S2 and molecular weight 204.08 g/mol. IUPAC: 5-methyl-1,5-diazocane-1-carbodithioic acid.
Chemical Property Profile of Fla 69
Property Insights of Fla 69
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fla 69. With a topological polar surface area (TPSA) of 39.6 Ų, Fla 69 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fla 69 has 1 hydrogen bond donor(s) and 3 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 Fla 69?
The CAS number of Fla 69 is 77242-25-2.
What is the molecular formula of Fla 69?
The molecular formula of Fla 69 is C8H16N2S2.
What is the molecular weight of Fla 69?
The molecular weight of Fla 69 is 204.08 g/mol.
Where can I buy Fla 69?
You can request a quote for Fla 69 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fla 69?
Yes, KEHONG BIO provides custom synthesis services for Fla 69 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.