1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone
TL;DR: 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone (CAS 369607-31-8) is a chemical compound with molecular formula C18H16N2OS and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(9,9-dimethylacridin-10-yl)-2-oxoethyl] thiocyanate
Also Known As: [2-(9,9-dimethylacridin-10-yl)-2-oxoethyl] thiocyanate, 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone
| Molecular Formula | C18H16N2OS |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 4.20488 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.09833 |
| Heavy Atoms | 22 |
| Complexity | 727.1518 |
Chemical Identifiers
| CAS Number | 369607-31-8 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC#N)C |
Product Overview
1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone (CAS 369607-31-8), with molecular formula C18H16N2OS and molecular weight 308.10 g/mol. IUPAC: [2-(9,9-dimethylacridin-10-yl)-2-oxoethyl] thiocyanate.
Chemical Property Profile of 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone
Property Insights of 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone
The XLogP value of 4.20488 indicates that 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone has 0 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 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone?
The CAS number of 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone is 369607-31-8.
What is the molecular formula of 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone?
The molecular formula of 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone is C18H16N2OS.
What is the molecular weight of 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone?
The molecular weight of 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone is 308.10 g/mol.
Where can I buy 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone?
You can request a quote for 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(9,9-dimethylacridin-10(9H)-yl)-2-thiocyanatoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.