CAS RN: 581-30-6
3-Phenothiazone
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.20260212 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS581-30-6
- Purity/Analytical Methods: >99.0%
581-30-6 / phenothiazin-3-one
Basic Information
CAS
581-30-6
Multi CAS
Yes
Molecular Formula
C12H7NOS
Molecular Weight
213.260000
Exact Mass
213.024835
InChI
InChI=1S/C12H7NOS/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h1-7H
InChIKey
YKGCCFHSXQHWIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
14
H-bond acceptors
3
Molar refractivity
62.51
TPSA
29.96
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
2
Consensus LogP
2.4
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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