1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione
TL;DR: 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione (CAS 898915-92-9) is a chemical compound with molecular formula C25H23N3O2 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(benzylamino)-2-pyrrolidin-1-ylanthracene-9,10-dione
Also Known As: 1-amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione, 1-amino-4-(benzylamino)-2-pyrrolidin-1-ylanthracene-9,10-dione
| Molecular Formula | C25H23N3O2 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 4.2565 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.17902 |
| Heavy Atoms | 30 |
| Complexity | 1148.5554 |
Chemical Identifiers
| CAS Number | 898915-92-9 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C3=C(C(=C2)NCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)N |
Product Overview
1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione (CAS 898915-92-9), with molecular formula C25H23N3O2 and molecular weight 397.18 g/mol. IUPAC: 1-amino-4-(benzylamino)-2-pyrrolidin-1-ylanthracene-9,10-dione.
Chemical Property Profile of 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione
Property Insights of 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione
The XLogP value of 4.2565 indicates that 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione. Following Lipinski's Rule of Five, 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione 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 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione?
The CAS number of 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione is 898915-92-9.
What is the molecular formula of 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione?
The molecular formula of 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione is C25H23N3O2.
What is the molecular weight of 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione?
The molecular weight of 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione is 397.18 g/mol.
Where can I buy 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione?
You can request a quote for 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-4-(benzylamino)-2-(pyrrolidin-1-yl)anthracene-9,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.