1-Anilino-2-methyl-9,10-anthraquinone
TL;DR: 1-Anilino-2-methyl-9,10-anthraquinone (CAS 4947-27-7) is a chemical compound with molecular formula C21H15NO2 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anilino-2-methylanthracene-9,10-dione
Also Known As: 1-Anilino-2-methylanthraquinone, 1-Anilino-2-methyl-9,10-anthraquinone, C.I. Pigment Red 149, 1-anilino-2-methylanthracene-9,10-dione, 2-Methyl-1-(phenylamino)anthraquinone
| Molecular Formula | C21H15NO2 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1103 |
| Heavy Atoms | 24 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 4947-27-7 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4 |
| InChIKey | KESAQCMKDBKYJD-UHFFFAOYSA-N |
Product Overview
1-Anilino-2-methyl-9,10-anthraquinone (CAS 4947-27-7), with molecular formula C21H15NO2 and molecular weight 313.11 g/mol. IUPAC: 1-anilino-2-methylanthracene-9,10-dione.
Chemical Property Profile of 1-Anilino-2-methyl-9,10-anthraquinone
Property Insights of 1-Anilino-2-methyl-9,10-anthraquinone
The XLogP value of 5.3 indicates that 1-Anilino-2-methyl-9,10-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-Anilino-2-methyl-9,10-anthraquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Anilino-2-methyl-9,10-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-Anilino-2-methyl-9,10-anthraquinone?
The CAS number of 1-Anilino-2-methyl-9,10-anthraquinone is 4947-27-7.
What is the molecular formula of 1-Anilino-2-methyl-9,10-anthraquinone?
The molecular formula of 1-Anilino-2-methyl-9,10-anthraquinone is C21H15NO2.
What is the molecular weight of 1-Anilino-2-methyl-9,10-anthraquinone?
The molecular weight of 1-Anilino-2-methyl-9,10-anthraquinone is 313.11 g/mol.
Where can I buy 1-Anilino-2-methyl-9,10-anthraquinone?
You can request a quote for 1-Anilino-2-methyl-9,10-anthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Anilino-2-methyl-9,10-anthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1-Anilino-2-methyl-9,10-anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.