Amustaline
TL;DR: Amustaline (CAS 878189-87-8) is a chemical compound with molecular formula C22H25Cl2N3O2 and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate
Also Known As: Amustaline, S303 compound, S-303 compound, PIC 1, 220180-88-1 (free base)
| Molecular Formula | C22H25Cl2N3O2 |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 4.5128 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 433.1324 |
| Heavy Atoms | 29 |
| Complexity | 891.6424 |
Chemical Identifiers
| CAS Number | 878189-87-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCC(=O)OCCN(CCCl)CCCl |
Product Overview
Amustaline (CAS 878189-87-8), with molecular formula C22H25Cl2N3O2 and molecular weight 433.13 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate.
Chemical Property Profile of Amustaline
Property Insights of Amustaline
The XLogP value of 4.5128 indicates that Amustaline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, Amustaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Amustaline has 1 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 Amustaline?
The CAS number of Amustaline is 878189-87-8.
What is the molecular formula of Amustaline?
The molecular formula of Amustaline is C22H25Cl2N3O2.
What is the molecular weight of Amustaline?
The molecular weight of Amustaline is 433.13 g/mol.
Where can I buy Amustaline?
You can request a quote for Amustaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amustaline?
Yes, KEHONG BIO provides custom synthesis services for Amustaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.