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CAS 31415-76-6 4-Pyrimidinemethanol, alpha-methyl-, (R)-(+)- (8CI) molecular structure lightbox
CAS RN: 31415-76-6

4-Pyrimidinemethanol, alpha-methyl-, (R)-(+)- (8CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250701 100mg / 250mg / 1g Out of stock 2 business days Inquiry
  • Product code: starshine_CAS31415-76-6
  • Purity/Analytical Methods: >99.0%
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31415-76-6 / (1R)-1-pyrimidin-4-ylethanol

Standard CAS: 31415-76-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31415-76-6
Multi CAS
Yes
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
InChI
InChI=1S/C6H8N2O/c1-5(9)6-2-3-7-4-8-6/h2-5,9H,1H3/t5-/m1/s1
InChIKey
FCQKOPJZMPKYGR-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.67
TPSA
46.01

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
-0.2
Consensus LogP
0.26
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
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)
-3.1

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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