1,4-Naphthalenedione, 2-methyl-3-(methylamino)-
TL;DR: 1,4-Naphthalenedione, 2-methyl-3-(methylamino)- (CAS 1694-01-5) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(methylamino)naphthalene-1,4-dione
Also Known As: 2-methyl-3-(methylamino)naphthalene-1,4-dione, 1,4-Naphthalenedione, 2-methyl-3-(methylamino)-, 2-Methyl-3-methylamino-1.4-naphthochinon, 2-methylamino-3-methyl-1,4-naphthoquinone, 2-Methyl-3-(methylamino)-1,4-naphthoquinone
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 1694-01-5 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)NC |
| InChIKey | WGCISMWFRZYHJR-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2-methyl-3-(methylamino)- (CAS 1694-01-5), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 2-methyl-3-(methylamino)naphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-methyl-3-(methylamino)-
Property Insights of 1,4-Naphthalenedione, 2-methyl-3-(methylamino)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 2-methyl-3-(methylamino)-. With a topological polar surface area (TPSA) of 46.2 Ų, 1,4-Naphthalenedione, 2-methyl-3-(methylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-methyl-3-(methylamino)- has 1 hydrogen bond donor(s) and 3 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 1,4-Naphthalenedione, 2-methyl-3-(methylamino)-?
The CAS number of 1,4-Naphthalenedione, 2-methyl-3-(methylamino)- is 1694-01-5.
What is the molecular formula of 1,4-Naphthalenedione, 2-methyl-3-(methylamino)-?
The molecular formula of 1,4-Naphthalenedione, 2-methyl-3-(methylamino)- is C12H11NO2.
What is the molecular weight of 1,4-Naphthalenedione, 2-methyl-3-(methylamino)-?
The molecular weight of 1,4-Naphthalenedione, 2-methyl-3-(methylamino)- is 201.08 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-methyl-3-(methylamino)-?
You can request a quote for 1,4-Naphthalenedione, 2-methyl-3-(methylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2-methyl-3-(methylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-methyl-3-(methylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.