CAS RN: 429673-85-8
(3R,4R)-tert-butyl 3-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-1-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250109 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS429673-85-8
- Purity/Analytical Methods: >99.0%
429673-85-8 / tert-butyl 3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
Basic Information
CAS
429673-85-8
Multi CAS
Yes
Molecular Formula
C14H26N2O5
Molecular Weight
302.370000
Exact Mass
302.184172
InChI
InChI=1S/C14H26N2O5/c1-13(2,3)20-11(18)15-9-7-16(8-10(9)17)12(19)21-14(4,5)6/h9-10,17H,7-8H2,1-6H3,(H,15,18)/t9-,10-/m1/s1
InChIKey
FQEKHGSKXWNVPP-NXEZZACHSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
76.97
TPSA
88.1
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
1
Consensus LogP
1.27
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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