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CAS 1240601-57-3 2-(Hydroxymethyl)-4-phenylpyrimidine molecular structure lightbox
CAS RN: 1240601-57-3

2-(Hydroxymethyl)-4-phenylpyrimidine

  • Product code: SSC-027873
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1240601-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Beijing Inquiry

1240601-57-3 / (4-phenylpyrimidin-2-yl)methanol

Standard CAS: 1240601-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240601-57-3
Multi CAS
No
Molecular Formula
C11H10N2O
Molecular Weight
186.210000
Exact Mass
186.079313
SMILES
C1=CC=C(C=C1)C2=NC(=NC=C2)CO
InChI
InChI=1S/C11H10N2O/c14-8-11-12-7-6-10(13-11)9-4-2-1-3-5-9/h1-7,14H,8H2
InChIKey
LDGFPJGTXRIKJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.39
TPSA
46.01

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1
Consensus LogP
1.36
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

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

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