CAS RN: 391248-13-8
R-4-AMINOMETHYL-THIAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER
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.20260114 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS391248-13-8
- Purity/Analytical Methods: >99.0%
391248-13-8 / tert-butyl (4R)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate
Basic Information
CAS
391248-13-8
Multi CAS
Yes
Molecular Formula
C9H18N2O2S
Molecular Weight
218.320000
Exact Mass
218.108899
InChI
InChI=1S/C9H18N2O2S/c1-9(2,3)13-8(12)11-6-14-5-7(11)4-10/h7H,4-6,10H2,1-3H3/t7-/m1/s1
InChIKey
XRUIGLRQDKZXKJ-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.24
TPSA
55.56
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
0.8
Consensus LogP
1.06
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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