1,4-Naphthoquinone, 2-(isopropylamino)-
TL;DR: 1,4-Naphthoquinone, 2-(isopropylamino)- (CAS 57950-03-5) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(propan-2-ylamino)naphthalene-1,4-dione
Also Known As: 2-Isopropylamino-1,4-naphthoquinone, 1,4-NAPHTHOQUINONE, 2-(ISOPROPYLAMINO)-, 2-(Isopropylamino)-1,4-naphthoquinone, 1-(4-phenoxyhept-2-ynyl)piperidine, 2-(propan-2-ylamino)naphthalene-1,4-dione
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 57950-03-5 |
|---|---|
| SMILES | CC(C)NC1=CC(=O)C2=CC=CC=C2C1=O |
| InChIKey | GEDMNZDVSCEEBO-UHFFFAOYSA-N |
Product Overview
1,4-Naphthoquinone, 2-(isopropylamino)- (CAS 57950-03-5), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: 2-(propan-2-ylamino)naphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthoquinone, 2-(isopropylamino)-
Property Insights of 1,4-Naphthoquinone, 2-(isopropylamino)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthoquinone, 2-(isopropylamino)-. With a topological polar surface area (TPSA) of 46.2 Ų, 1,4-Naphthoquinone, 2-(isopropylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthoquinone, 2-(isopropylamino)- 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-Naphthoquinone, 2-(isopropylamino)-?
The CAS number of 1,4-Naphthoquinone, 2-(isopropylamino)- is 57950-03-5.
What is the molecular formula of 1,4-Naphthoquinone, 2-(isopropylamino)-?
The molecular formula of 1,4-Naphthoquinone, 2-(isopropylamino)- is C13H13NO2.
What is the molecular weight of 1,4-Naphthoquinone, 2-(isopropylamino)-?
The molecular weight of 1,4-Naphthoquinone, 2-(isopropylamino)- is 215.09 g/mol.
Where can I buy 1,4-Naphthoquinone, 2-(isopropylamino)-?
You can request a quote for 1,4-Naphthoquinone, 2-(isopropylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthoquinone, 2-(isopropylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthoquinone, 2-(isopropylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.