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CAS RN: 1354006-76-0
(R)-1-(6-Methoxy-pyriMidin-4-yl)-pyrrolidin-3-ol
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.20250515 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1354006-76-0
- Purity/Analytical Methods: >99.0%
1354006-76-0 / (3R)-1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-ol
Basic Information
CAS
1354006-76-0
Multi CAS
No
Molecular Formula
C9H13N3O2
Molecular Weight
195.220000
Exact Mass
195.100777
SMILES
COC1=NC=NC(=C1)N2CC[C@H](C2)O
InChI
InChI=1S/C9H13N3O2/c1-14-9-4-8(10-6-11-9)12-3-2-7(13)5-12/h4,6-7,13H,2-3,5H2,1H3/t7-/m1/s1
InChIKey
SRRBFBVDEVTJOA-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.42
TPSA
58.48
LogP / Solubility
WLOGP
0.06
MLOGP
0.05
XLogP3
0.5
Consensus LogP
0.2
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.87
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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![CAS 1354010-01-7 (S)-3-[(3-Methyl-thiophene-2-carbonyl)-aMino]-pyrrolidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62576732(1).gif)
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