CAS RN: 1015845-73-4
CHEMBRDG-BB 9002112
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260528 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1015845-73-4
- Purity/Analytical Methods: >99.0%
1015845-73-4 / 4-(4-tert-butylphenyl)-1H-pyrazol-5-amine
4-(4-tert-Butylphenyl)-1H-pyrazol-3-amine | 4-(4-(tert-Butyl)phenyl)-1H-pyrazol-3-amine | 4-(4-tert-butylphenyl)-1H-pyrazol-5-amine
Basic Information
CAS
1015845-73-4
Multi CAS
Yes
Molecular Formula
C13H17N3
Molecular Weight
215.290000
Exact Mass
215.142248
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C(NN=C2)N
InChI
InChI=1S/C13H17N3/c1-13(2,3)10-6-4-9(5-7-10)11-8-15-16-12(11)14/h4-8H,1-3H3,(H3,14,15,16)
InChIKey
SELQUBRQCXVHRE-UHFFFAOYSA-N
Synonyms
4-(4-tert-Butylphenyl)-1H-pyrazol-3-amine
4-(4-(tert-Butyl)phenyl)-1H-pyrazol-3-amine
4-(4-tert-butylphenyl)-1H-pyrazol-5-amine
MFCD06634630
1H-Pyrazol-3-amine, 4-[4-(1,1-dimethylethyl)phenyl]-
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.14
TPSA
54.7
LogP / Solubility
WLOGP
2.96
MLOGP
2.6
XLogP3
3.2
Consensus LogP
2.92
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-1.93
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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- CAS RN: 1015846-76-0
- Product Code: starshine_CAS1015846-76-0
- Purity/Analytical method: >99.0%
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