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CAS 1375064-68-8 Ethyl 2-AMino-4-(1-pyrazolyl)benzoate molecular structure lightbox
CAS RN: 1375064-68-8

Ethyl 2-AMino-4-(1-pyrazolyl)benzoate

  • Product code: SSC-047166
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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, 1g, 0.1g, 0.25g
  • Available purity: >97%
  • 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 1375064-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry

1375064-68-8 / ethyl 2-amino-4-pyrazol-1-ylbenzoate

Standard CAS: 1375064-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-68-8
Multi CAS
No
Molecular Formula
C12H13N3O2
Molecular Weight
231.250000
Exact Mass
231.100777
SMILES
CCOC(=O)C1=C(C=C(C=C1)N2C=CC=N2)N
InChI
InChI=1S/C12H13N3O2/c1-2-17-12(16)10-5-4-9(8-11(10)13)15-7-3-6-14-15/h3-8H,2,13H2,1H3
InChIKey
SRCSLEISLZCLAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.93
TPSA
70.14

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
2
Consensus LogP
1.69
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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