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CAS 1352903-61-7 3-Amino-5-bromo-1H-pyrazole-4-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 1352903-61-7

3-Amino-5-bromo-1H-pyrazole-4-carboxylic acid ethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-043436
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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
  • 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 1352903-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry

1352903-61-7 / ethyl 3-amino-5-bromo-1H-pyrazole-4-carboxylate

Standard CAS: 1352903-61-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352903-61-7
Multi CAS
No
Molecular Formula
C6H8BrN3O2
Molecular Weight
234.050000
Exact Mass
232.979990
SMILES
CCOC(=O)C1=C(NN=C1N)Br
InChI
InChI=1S/C6H8BrN3O2/c1-2-12-6(11)3-4(7)9-10-5(3)8/h2H2,1H3,(H3,8,9,10)
InChIKey
FJSVDVBINJVXGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.66
TPSA
81

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
1.7
Consensus LogP
1.15
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49

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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