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CAS 15375-78-7 1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-8(7h)-one molecular structure lightbox
CAS RN: 15375-78-7

1,2,3,4-tetrahydropyrido[2,3-d]pyridazin-8(7h)-one

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Batchno.20250212 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15375-78-7
  • Purity/Analytical Methods: >99.0%
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15375-78-7 / 2,3,4,7-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-one

Standard CAS: 15375-78-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15375-78-7
Multi CAS
No
Molecular Formula
C7H9N3O
Molecular Weight
151.170000
Exact Mass
151.074562
SMILES
C1CC2=C(C(=O)NN=C2)NC1
InChI
InChI=1S/C7H9N3O/c11-7-6-5(4-9-10-7)2-1-3-8-6/h4,8H,1-3H2,(H,10,11)
InChIKey
QWWQMNDKJZPKFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.67
TPSA
57.78

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
XLogP3
-0.1
Consensus LogP
0.05
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.55

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] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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