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CAS 1240597-30-1 ethyl 2-aMino-4-chloropyriMidine-5-carboxylate molecular structure lightbox
CAS RN: 1240597-30-1

ethyl 2-aMino-4-chloropyriMidine-5-carboxylate

  • Product code: SSC-027868
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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, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1240597-30-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

1240597-30-1 / ethyl 2-amino-4-chloropyrimidine-5-carboxylate

Standard CAS: 1240597-30-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240597-30-1
Multi CAS
No
Molecular Formula
C7H8ClN3O2
Molecular Weight
201.610000
Exact Mass
201.030504
SMILES
CCOC(=O)C1=CN=C(N=C1Cl)N
InChI
InChI=1S/C7H8ClN3O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H2,9,10,11)
InChIKey
QQXMRTNJTHNBJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.41
TPSA
78.1

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
1
Consensus LogP
0.89
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.32

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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