![CAS 1144449-18-2 7-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1144449-18-2.gif)
CAS RN: 1144449-18-2
7-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250731 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1144449-18-2
- Purity/Analytical Methods: >99.0%
1144449-18-2 / 7-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
7-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine | MFCD11982958 | BBL032105
Basic Information
CAS
1144449-18-2
Multi CAS
No
Molecular Formula
C14H12ClN3
Molecular Weight
257.720000
Exact Mass
257.071975
SMILES
CC1=NC2=C(C(=NN2C(=C1)Cl)C)C3=CC=CC=C3
InChI
InChI=1S/C14H12ClN3/c1-9-8-12(15)18-14(16-9)13(10(2)17-18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
JOISBKFSEWNWGJ-UHFFFAOYSA-N
Synonyms
7-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
MFCD11982958
BBL032105
STK802442
AKOS005622674
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.91
TPSA
30.19
LogP / Solubility
WLOGP
3.67
MLOGP
3.23
XLogP3
3.7
Consensus LogP
3.53
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
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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