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CAS 1152552-07-2 6-Chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine molecular structure lightbox
CAS RN: 1152552-07-2

6-Chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine

  • Product code: SSC-014960
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1152552-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1152552-07-2 / 6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine | 6-Chloro-3-cyclopropyl-(1,2,4)triazolo(4,3-b)pyridazine | RefChem:541620

Standard CAS: 1152552-07-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1152552-07-2
Multi CAS
No
Molecular Formula
C8H7ClN4
Molecular Weight
194.620000
Exact Mass
194.035924
SMILES
C1CC1C2=NN=C3N2N=C(C=C3)Cl
InChI
InChI=1S/C8H7ClN4/c9-6-3-4-7-10-11-8(5-1-2-5)13(7)12-6/h3-5H,1-2H2
InChIKey
VJYULOBBCNCMJY-UHFFFAOYSA-N
Synonyms
6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine 6-Chloro-3-cyclopropyl-(1,2,4)triazolo(4,3-b)pyridazine RefChem:541620 875-074-8 MFCD11103598

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
47.77
TPSA
43.08

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.3
Consensus LogP
1.47
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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