1-(Butylamino)anthraquinone
TL;DR: 1-(Butylamino)anthraquinone (CAS 129-45-3) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(butylamino)anthracene-9,10-dione
Also Known As: 1-(Butylamino)anthraquinone, 1-(butylamino)anthracene-9,10-dione, Anthraquinone, 1-(butylamino)-, 9,1-(butylamino), 1-butylaminoanthraquinone
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 129-45-3 |
|---|---|
| SMILES | CCCCNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O |
| InChIKey | AHOSCUOPPDQVDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Butylamino)anthraquinone (CAS 129-45-3), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: 1-(butylamino)anthracene-9,10-dione.
Chemical Property Profile of 1-(Butylamino)anthraquinone
Property Insights of 1-(Butylamino)anthraquinone
The XLogP value of 5.1 indicates that 1-(Butylamino)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 1-(Butylamino)anthraquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Butylamino)anthraquinone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Butylamino)anthraquinone?
The CAS number of 1-(Butylamino)anthraquinone is 129-45-3.
What is the molecular formula of 1-(Butylamino)anthraquinone?
The molecular formula of 1-(Butylamino)anthraquinone is C18H17NO2.
What is the molecular weight of 1-(Butylamino)anthraquinone?
The molecular weight of 1-(Butylamino)anthraquinone is 279.13 g/mol.
Where can I buy 1-(Butylamino)anthraquinone?
You can request a quote for 1-(Butylamino)anthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Butylamino)anthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Butylamino)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.