Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
19220-18-9 / phenazine-2,3-diol
Basic Information
CAS
19220-18-9
Multi CAS
No
Molecular Formula
C12H8N2O2
Molecular Weight
212.200000
Exact Mass
212.058578
SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)O)O
InChI
InChI=1S/C12H8N2O2/c15-11-5-9-10(6-12(11)16)14-8-4-2-1-3-7(8)13-9/h1-6,15-16H
InChIKey
UVPLITJCYDVORW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.37
TPSA
66.24
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
1.9
Consensus LogP
2.01
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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