1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro-
TL;DR: 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro- (CAS 500536-12-9) is a chemical compound with molecular formula C13H10ClNO5 and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-nitro-2-propan-2-yloxynaphthalene-1,4-dione
Also Known As: 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro-, 3-chloro-5-nitro-2-propan-2-yloxynaphthalene-1,4-dione, 3-chloro-5-nitro-2-(propan-2-yloxy)naphthalene-1,4-dione
| Molecular Formula | C13H10ClNO5 |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.02475 |
| Heavy Atoms | 20 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 500536-12-9 |
|---|---|
| SMILES | CC(C)OC1=C(C(=O)C2=C(C1=O)C=CC=C2[N+](=O)[O-])Cl |
| InChIKey | CBUZCXYHKGQZON-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro- (CAS 500536-12-9), with molecular formula C13H10ClNO5 and molecular weight 295.02 g/mol. IUPAC: 3-chloro-5-nitro-2-propan-2-yloxynaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro-
Property Insights of 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro-
The XLogP value of 3.1 indicates that 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro- has 0 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 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro-?
The CAS number of 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro- is 500536-12-9.
What is the molecular formula of 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro-?
The molecular formula of 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro- is C13H10ClNO5.
What is the molecular weight of 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro-?
The molecular weight of 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro- is 295.02 g/mol.
Where can I buy 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro-?
You can request a quote for 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro- 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, 3-chloro-2-(1-methylethoxy)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 3-chloro-2-(1-methylethoxy)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.