CAS RN: 84915-43-5
(3S)-2,2-DIMETHYL-1,4-THIAZINANE-3-CARBOXYLIC ACID
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.20260203 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS84915-43-5
- Purity/Analytical Methods: >99.0%
84915-43-5 / (3S)-2,2-dimethylthiomorpholine-3-carboxylic acid
Basic Information
CAS
84915-43-5
Multi CAS
No
Molecular Formula
C7H13NO2S
Molecular Weight
175.250000
Exact Mass
175.066700
InChI
InChI=1S/C7H13NO2S/c1-7(2)5(6(9)10)8-3-4-11-7/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKey
PPNGSCRYZMXTEK-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.96
TPSA
49.33
LogP / Solubility
WLOGP
0.55
MLOGP
0.49
XLogP3
-1.8
Consensus LogP
-0.25
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-3.4
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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