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CAS 1354014-71-3 (R)-3-(6-Ethoxy-pyriMidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1354014-71-3

(R)-3-(6-Ethoxy-pyriMidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1354014-71-3
  • Purity/Analytical Methods: >99.0%
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1354014-71-3 / tert-butyl (3R)-3-(6-ethoxypyrimidin-4-yl)oxypyrrolidine-1-carboxylate

Standard CAS: 1354014-71-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354014-71-3
Multi CAS
No
Molecular Formula
C15H23N3O4
Molecular Weight
309.360000
Exact Mass
309.168856
SMILES
CCOC1=CC(=NC=N1)O[C@@H]2CCN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H23N3O4/c1-5-20-12-8-13(17-10-16-12)21-11-6-7-18(9-11)14(19)22-15(2,3)4/h8,10-11H,5-7,9H2,1-4H3/t11-/m1/s1
InChIKey
VCVKWLMGLDFONV-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
80.04
TPSA
73.78

LogP / Solubility

WLOGP
2.26
MLOGP
2.01
XLogP3
2.3
Consensus LogP
2.19
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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