![CAS 1159982-97-4 7-Chloropyrazolo[1,5-a]pyiMidine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159982-97-4.gif)
CAS RN: 1159982-97-4
7-Chloropyrazolo[1,5-a]pyiMidine-3-carbonitrile
Product Availability
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4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260607 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1159982-97-4
- Purity/Analytical Methods: >99.0%
1159982-97-4 / 7-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
7-CHLOROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE | DTXSID80678367 | 7-Chloropyrazolo(1,5-a)pyrimidine-3-carbonitrile
Basic Information
CAS
1159982-97-4
Multi CAS
No
Molecular Formula
C7H3ClN4
Molecular Weight
178.580000
Exact Mass
178.004624
SMILES
C1=C(N2C(=C(C=N2)C#N)N=C1)Cl
InChI
InChI=1S/C7H3ClN4/c8-6-1-2-10-7-5(3-9)4-11-12(6)7/h1-2,4H
InChIKey
XXUKSBBIJKPEOT-UHFFFAOYSA-N
Synonyms
7-CHLOROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
DTXSID80678367
7-Chloropyrazolo(1,5-a)pyrimidine-3-carbonitrile
RefChem:310688
DTXCID20629116
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
4
Molar refractivity
42.71
TPSA
53.98
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1
Consensus LogP
1.12
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.92
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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