Botiacrine
TL;DR: Botiacrine (CAS 4774-53-2) is a chemical compound with molecular formula C20H24N2OS and molecular weight 340.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(dimethylamino)ethyl] 9,9-dimethylacridine-10-carbothioate
Also Known As: Botiacrine, Botiacrine [INN], Botiacrinum, Botiacrino, botiacrina
| Molecular Formula | C20H24N2OS |
|---|---|
| Molecular Weight | 340.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.16095 |
| Heavy Atoms | 24 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 4774-53-2 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)C)C |
| InChIKey | QXRUCDDVUMKOPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Botiacrine (CAS 4774-53-2), with molecular formula C20H24N2OS and molecular weight 340.16 g/mol. IUPAC: S-[2-(dimethylamino)ethyl] 9,9-dimethylacridine-10-carbothioate.
Chemical Property Profile of Botiacrine
Property Insights of Botiacrine
The XLogP value of 4.7 indicates that Botiacrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.9 Ų, Botiacrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Botiacrine 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 Botiacrine?
The CAS number of Botiacrine is 4774-53-2.
What is the molecular formula of Botiacrine?
The molecular formula of Botiacrine is C20H24N2OS.
What is the molecular weight of Botiacrine?
The molecular weight of Botiacrine is 340.16 g/mol.
Where can I buy Botiacrine?
You can request a quote for Botiacrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Botiacrine?
Yes, KEHONG BIO provides custom synthesis services for Botiacrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.