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CAS 1094311-62-2 4-(5-Amino-2-pyrimidyl)phenol molecular structure lightbox
CAS RN: 1094311-62-2

4-(5-Amino-2-pyrimidyl)phenol

  • Product code: SSC-010764
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1094311-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1094311-62-2 / 4-(5-aminopyrimidin-2-yl)phenol

4-(5-Amino-2-pyrimidyl)phenol | MFCD11180875 | 4-(5-AMINOPYRIMIDIN-2-YL)PHENOL

Standard CAS: 1094311-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094311-62-2
Multi CAS
No
Molecular Formula
C10H9N3O
Molecular Weight
187.200000
Exact Mass
187.074562
SMILES
C1=CC(=CC=C1C2=NC=C(C=N2)N)O
InChI
InChI=1S/C10H9N3O/c11-8-5-12-10(13-6-8)7-1-3-9(14)4-2-7/h1-6,14H,11H2
InChIKey
NCHCHBIEHDUUBX-UHFFFAOYSA-N
Synonyms
4-(5-Amino-2-pyrimidyl)phenol MFCD11180875 4-(5-AMINOPYRIMIDIN-2-YL)PHENOL AC2893 AKOS009309226

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.55
TPSA
72.03

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
0.8
Consensus LogP
1.16
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.85

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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