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CAS 110100-00-0 Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI) molecular structure lightbox
CAS RN: 110100-00-0

Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI)

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250326 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260202 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260503 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260512 25g In stock Shanghai Inquiry
Batchno.20260404 5g In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: SSC-011334
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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: 1g, 0.1g, 0.25g, 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • 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 110100-00-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 2 In Stock Hong Kong Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

110100-00-0 / 1-(2-chloropyrimidin-5-yl)ethanone

1-(2-CHLOROPYRIMIDIN-5-YL)ETHANONE | Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI) | MFCD10697144

Standard CAS: 110100-00-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
110100-00-0
Multi CAS
No
Molecular Formula
C6H5ClN2O
Molecular Weight
156.570000
Exact Mass
156.009041
SMILES
CC(=O)C1=CN=C(N=C1)Cl
InChI
InChI=1S/C6H5ClN2O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3
InChIKey
LISVHIVILJZRDH-UHFFFAOYSA-N
Synonyms
1-(2-CHLOROPYRIMIDIN-5-YL)ETHANONE Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI) MFCD10697144 1-(2-CHLOROPYRIMIDIN-5-YL)ETHAN-1-ONE ETHANONE, 1-(2-CHLORO-5-PYRIMIDINYL)-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.05
TPSA
42.85

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.8
Consensus LogP
1.1
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.73

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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