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CAS 1247103-30-5 [1-(2-Chloro-6-methyl-pyrimidin-4-yl)-piperidin-4-yl]-methanol molecular structure lightbox
CAS RN: 1247103-30-5

[1-(2-Chloro-6-methyl-pyrimidin-4-yl)-piperidin-4-yl]-methanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1247103-30-5
  • Purity/Analytical Methods: >99.0%
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1247103-30-5 / [1-(2-chloro-6-methylpyrimidin-4-yl)piperidin-4-yl]methanol

Standard CAS: 1247103-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1247103-30-5
Multi CAS
No
Molecular Formula
C11H16ClN3O
Molecular Weight
241.720000
Exact Mass
241.098190
SMILES
CC1=CC(=NC(=N1)Cl)N2CCC(CC2)CO
InChI
InChI=1S/C11H16ClN3O/c1-8-6-10(14-11(12)13-8)15-4-2-9(7-16)3-5-15/h6,9,16H,2-5,7H2,1H3
InChIKey
NLOUJHYTESBINW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.8
TPSA
49.25

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
2.1
Consensus LogP
1.73
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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