CAS RN: 1043-21-6
Pirenoxine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260205 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1043-21-6
- Purity/Analytical Methods: >99.0%
1043-21-6 / 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
pirenoxine | Pirenoxina | Catalin-K
Basic Information
CAS
1043-21-6
Multi CAS
Yes
Molecular Formula
C16H8N2O5
Molecular Weight
308.240000
Exact Mass
308.043321
SMILES
C1=CC=C2C(=C1)N=C3C(=CC(=O)C4=C3C(=O)C=C(N4)C(=O)O)O2
InChI
InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)
InChIKey
OKPNYGAWTYOBFZ-UHFFFAOYSA-N
Synonyms
pirenoxine
Pirenoxina
Catalin-K
Pirenoxinum
27L0EP6IZK
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.99
TPSA
113.26
LogP / Solubility
WLOGP
1.83
MLOGP
1.63
XLogP3
1.3
Consensus LogP
1.59
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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![CAS 1044-89-9 (8R,9S,10R,13S,14S)-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2-[1,3]dioxolan]-3(2H)-one(WXG00896) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1044-89-9.gif)
