Anticancer agent 3
TL;DR: Anticancer agent 3 (CAS 146537-05-5) is a chemical compound with molecular formula C20H25N3OS and molecular weight 355.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aminomethyl)-1-[2-(diethylamino)ethylamino]thioxanthen-9-one
Also Known As: Anticancer agent 3, 4-(aminomethyl)-1-(2-diethylaminoethylamino)thioxanthen-9-one, 4-Aminomethyl-1-(2-diethylamino-ethylamino)-thioxanthen-9-one, 4-(aminomethyl)-1-[[2-(diethylamino)ethyl]amino]-thioxanthen-9-one, 4-(aminomethyl)-1-[2-(diethylamino)ethylamino]thioxanthen-9-one
| Molecular Formula | C20H25N3OS |
|---|---|
| Molecular Weight | 355.17 g/mol |
| LogP | 3.6271 |
| Topological Polar Surface Area | 58.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.17184 |
| Heavy Atoms | 25 |
| Complexity | 931.2616 |
Chemical Identifiers
| CAS Number | 146537-05-5 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)CN)SC3=CC=CC=C3C2=O |
Product Overview
Anticancer agent 3 (CAS 146537-05-5), with molecular formula C20H25N3OS and molecular weight 355.17 g/mol. IUPAC: 4-(aminomethyl)-1-[2-(diethylamino)ethylamino]thioxanthen-9-one.
Chemical Property Profile of Anticancer agent 3
Property Insights of Anticancer agent 3
The XLogP value of 3.6271 indicates that Anticancer agent 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.36 Ų, Anticancer agent 3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anticancer agent 3 has 2 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 Anticancer agent 3?
The CAS number of Anticancer agent 3 is 146537-05-5.
What is the molecular formula of Anticancer agent 3?
The molecular formula of Anticancer agent 3 is C20H25N3OS.
What is the molecular weight of Anticancer agent 3?
The molecular weight of Anticancer agent 3 is 355.17 g/mol.
Where can I buy Anticancer agent 3?
You can request a quote for Anticancer agent 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anticancer agent 3?
Yes, KEHONG BIO provides custom synthesis services for Anticancer agent 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.