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CAS 1095822-21-1 Ethyl 2-(4,6-dichloropyrimidin-5-yl)acetate molecular structure lightbox
CAS RN: 1095822-21-1

Ethyl 2-(4,6-dichloropyrimidin-5-yl)acetate

  • Product code: SSC-010948
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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: 0.25g, 5g, 1g, 0.1g
  • 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 1095822-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Shanghai Inquiry
1g ≥97% 3 In Stock Beijing Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry

1095822-21-1 / ethyl 2-(4,6-dichloropyrimidin-5-yl)acetate

Ethyl 2-(4,6-dichloropyrimidin-5-yl)acetate | Ethyl 2-(4,6-Dichloro-5-pyrimidyl)acetate | MFCD13195351

Standard CAS: 1095822-21-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1095822-21-1
Multi CAS
Yes
Molecular Formula
C8H8Cl2N2O2
Molecular Weight
235.060000
Exact Mass
233.996283
SMILES
CCOC(=O)CC1=C(N=CN=C1Cl)Cl
InChI
InChI=1S/C8H8Cl2N2O2/c1-2-14-6(13)3-5-7(9)11-4-12-8(5)10/h4H,2-3H2,1H3
InChIKey
ZMNVHLAMRJXIJK-UHFFFAOYSA-N
Synonyms
Ethyl 2-(4,6-dichloropyrimidin-5-yl)acetate Ethyl 2-(4,6-Dichloro-5-pyrimidyl)acetate MFCD13195351 Ethyl (4,6-dichloro-5-pyrimidinyl)acetate Ethyl2-(4,6-dichloropyrimidin-5-yl)acetate

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
52.39
TPSA
52.08

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
2.3
Consensus LogP
1.95
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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