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CAS 116527-52-7 5-chloro-1H-pyrazolo[3,4-b]pyrazine molecular structure lightbox
CAS RN: 116527-52-7

5-chloro-1H-pyrazolo[3,4-b]pyrazine

  • Product code: SSC-016504
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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
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 116527-52-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry

116527-52-7 / 5-chloro-1H-pyrazolo[3,4-b]pyrazine

5-CHLORO-1H-PYRAZOLO[3,4-B]PYRAZINE | 5-CHLORO-1H-PYRAZOLO[4,3-B]PYRAZINE | MFCD13190159

Standard CAS: 116527-52-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116527-52-7
Multi CAS
No
Molecular Formula
C5H3ClN4
Molecular Weight
154.560000
Exact Mass
154.004624
SMILES
C1=C(N=C2C=NNC2=N1)Cl
InChI
InChI=1S/C5H3ClN4/c6-4-2-7-5-3(9-4)1-8-10-5/h1-2H,(H,7,8,10)
InChIKey
WYECUHMBHBVKPB-UHFFFAOYSA-N
Synonyms
5-CHLORO-1H-PYRAZOLO[3,4-B]PYRAZINE 5-CHLORO-1H-PYRAZOLO[4,3-B]PYRAZINE MFCD13190159 AB69869 PS-15534

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.69
TPSA
54.46

LogP / Solubility

WLOGP
1.01
MLOGP
0.88
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-2.95

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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