CAS RN: 78233-48-4
2H-1,3-Thiazine-2-carboxylicacid,tetrahydro-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250608 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS78233-48-4
- Purity/Analytical Methods: >99.0%
78233-48-4 / 1,3-thiazinane-2-carboxylic acid
Basic Information
CAS
78233-48-4
Multi CAS
Yes
Molecular Formula
C5H9NO2S
Molecular Weight
147.200000
Exact Mass
147.035400
InChI
InChI=1S/C5H9NO2S/c7-5(8)4-6-2-1-3-9-4/h4,6H,1-3H2,(H,7,8)
InChIKey
IESZQYHPXVRLMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.5
TPSA
49.33
LogP / Solubility
WLOGP
0.12
MLOGP
0.1
XLogP3
-2
Consensus LogP
-0.59
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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