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CAS RN: 1379439-07-2
(S)-1-(2-Chloro-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.20260301 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1379439-07-2
- Purity/Analytical Methods: >99.0%
1379439-07-2 / (3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-ol
Basic Information
CAS
1379439-07-2
Multi CAS
No
Molecular Formula
C8H10ClN3O
Molecular Weight
199.640000
Exact Mass
199.051240
SMILES
C1CN(C[C@H]1O)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C8H10ClN3O/c9-8-10-3-1-7(11-8)12-4-2-6(13)5-12/h1,3,6,13H,2,4-5H2/t6-/m0/s1
InChIKey
DLZHVZSXNBBQKW-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.88
TPSA
49.25
LogP / Solubility
WLOGP
0.7
MLOGP
0.62
XLogP3
1.1
Consensus LogP
0.81
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.44
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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