CAS RN: 871727-59-2
(R)-Tert-Butyl 2-(2-(Methylamino)Thiazol-4-Yl)Pyrrolidine-1-Carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250425 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS871727-59-2
- Purity/Analytical Methods: >99.0%
871727-59-2 / tert-butyl (2R)-2-[2-(methylamino)-1,3-thiazol-4-yl]pyrrolidine-1-carboxylate
Basic Information
CAS
871727-59-2
Multi CAS
Yes
Molecular Formula
C13H21N3O2S
Molecular Weight
283.390000
Exact Mass
283.135448
InChI
InChI=1S/C13H21N3O2S/c1-13(2,3)18-12(17)16-7-5-6-10(16)9-8-19-11(14-4)15-9/h8,10H,5-7H2,1-4H3,(H,14,15)/t10-/m1/s1
InChIKey
KMJYDFOIIPQZMG-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.58
TPSA
54.46
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
2.5
Consensus LogP
2.88
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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