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CAS 120977-94-8 2,6-dichloro-pyrimidin-4-ol molecular structure lightbox
CAS RN: 120977-94-8

2,6-dichloro-pyrimidin-4-ol

  • Product code: SSC-022309
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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: 5g, 10g, 0.25g, 1g, 0.1g
  • Available purity: ≥96%
  • Inventory rows with stock: 5
  • 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 120977-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥96% 4 In Stock Shenzhen Inquiry
10g ≥96% 4 In Stock Shanghai Inquiry
0.25g ≥96% 3 In Stock Hong Kong Inquiry
1g ≥96% 3 In Stock Hong Kong Inquiry
0.1g ≥96% 2 In Stock Shanghai Inquiry

120977-94-8 / 2,4-dichloro-1H-pyrimidin-6-one

2,6-Dichloro-3H-pyrimidin-4-one | 2,6-dichloro-1H-pyrimidin-4-one | 2,6-dichloro-pyrimidin-4-ol

Standard CAS: 120977-94-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120977-94-8
Multi CAS
Yes
Molecular Formula
C4H2Cl2N2O
Molecular Weight
164.970000
Exact Mass
163.954418
SMILES
C1=C(N=C(NC1=O)Cl)Cl
InChI
InChI=1S/C4H2Cl2N2O/c5-2-1-3(9)8-4(6)7-2/h1H,(H,7,8,9)
InChIKey
PVXOAKRQJOOIQX-UHFFFAOYSA-N
Synonyms
2,6-Dichloro-3H-pyrimidin-4-one 2,6-dichloro-1H-pyrimidin-4-one 2,6-dichloro-pyrimidin-4-ol 2,6-DICHLORO-4(1H)-PYRIMIDINONE 2,6-Dichloropyrimidin-4(3H)-one

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.88
TPSA
45.75

LogP / Solubility

WLOGP
1.08
MLOGP
0.94
XLogP3
1.2
Consensus LogP
1.07
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.96

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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