CAS RN: 51762-56-2
9H-Thioxanthene-4-carboxylic acid,9-oxo-
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.20250916 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS51762-56-2
- Purity/Analytical Methods: >99.0%
51762-56-2 / 9-oxothioxanthene-4-carboxylic acid
Basic Information
CAS
51762-56-2
Multi CAS
No
Molecular Formula
C14H8O3S
Molecular Weight
256.280000
Exact Mass
256.019415
InChI
InChI=1S/C14H8O3S/c15-12-8-4-1-2-7-11(8)18-13-9(12)5-3-6-10(13)14(16)17/h1-7H,(H,16,17)
InChIKey
OTPIPHJWVKNZOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.56
TPSA
54.37
LogP / Solubility
WLOGP
3.11
MLOGP
2.75
XLogP3
3
Consensus LogP
2.95
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
(2-PHENOXY)METHYLSULFONYLANILINE
- CAS RN: 51765-51-6
- Product Code: starshine_CAS51765-51-6
- Purity/Analytical method: >99.0%
-
2′-(4-Methoxyphenoxy)-4′-nitroMethanesulfonanilide
- CAS RN: 51765-76-5
- Product Code: SSC-158711
-
-
3-O-Methylellagic acid
- CAS RN: 51768-38-8
- Product Code: starshine_CAS51768-38-8
- Purity/Analytical method: >99.0%
-
-
