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CAS 1354018-67-9 (S)-1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-pyrrolidin-3-ol molecular structure lightbox
CAS RN: 1354018-67-9

(S)-1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-pyrrolidin-3-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1354018-67-9
  • Purity/Analytical Methods: >99.0%
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1354018-67-9 / (3S)-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-ol

Standard CAS: 1354018-67-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354018-67-9
Multi CAS
No
Molecular Formula
C10H15N3O2S
Molecular Weight
241.310000
Exact Mass
241.088498
SMILES
COC1=NC(=NC(=C1)N2CC[C@@H](C2)O)SC
InChI
InChI=1S/C10H15N3O2S/c1-15-9-5-8(11-10(12-9)16-2)13-4-3-7(14)6-13/h5,7,14H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKey
ALGHQWHZQKGRLF-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
63.2
TPSA
58.48

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
1.3
Consensus LogP
0.92
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-3.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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