CAS RN: 76508-35-5
Isopropyl 4-Hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-Dioxide (Piroxicam Impurity I)
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.20260525 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS76508-35-5
- Purity/Analytical Methods: >99.0%
76508-35-5 / propan-2-yl 4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxylate
Basic Information
CAS
76508-35-5
Multi CAS
No
Molecular Formula
C12H13NO5S
Molecular Weight
283.300000
Exact Mass
283.051444
InChI
InChI=1S/C12H13NO5S/c1-7(2)18-12(15)10-11(14)8-5-3-4-6-9(8)19(16,17)13-10/h3-7,13-14H,1-2H3
InChIKey
KCSORUCCHDBUFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
67.54
TPSA
92.7
LogP / Solubility
WLOGP
1.16
MLOGP
1.03
XLogP3
1.8
Consensus LogP
1.33
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
5-Iodo-6-methyl-2-(methylthio)-1H-pyrimidin-4-one
- CAS RN: 76510-64-0
- Product Code: SSC-185928
-
-
1,2-DIMETHYL-1,2,3,4-TETRAHYDRO-6-QUINOLINECARBALDEHYDE
- CAS RN: 76529-12-9
- Product Code: SSC-185938
-
