![CAS 179055-18-6 [4-(1-Methyl-1H-pyrazol-5-yl)phenyl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/179055-18-6.gif)
CAS RN: 179055-18-6
[4-(1-Methyl-1H-pyrazol-5-yl)phenyl]methanol
- Product code: SSC-079759
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
179055-18-6 / [4-(2-methylpyrazol-3-yl)phenyl]methanol
Basic Information
CAS
179055-18-6
Multi CAS
No
Molecular Formula
C11H12N2O
Molecular Weight
188.230000
Exact Mass
188.094963
SMILES
CN1C(=CC=N1)C2=CC=C(C=C2)CO
InChI
InChI=1S/C11H12N2O/c1-13-11(6-7-12-13)10-4-2-9(8-14)3-5-10/h2-7,14H,8H2,1H3
InChIKey
GTOIYABGDSYZPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.57
TPSA
38.05
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1
Consensus LogP
1.32
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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[4-(1-Methyl-1H-pyrazol-3-yl)phenyl]methanol
- CAS RN: 179055-20-0
- Product Code: SSC-079760
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4-(N,O-DIMETHYLHYDROXYLAMINOCARBONYL)PHENYLBORONIC ACID
- CAS RN: 179055-26-6
- Product Code: SSC-079761
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4-(1-METHYL-1H-PYRAZOL-5-YL)BENZALDEHYDE
- CAS RN: 179055-28-8
- Product Code: starshine_CAS179055-28-8
- Purity/Analytical method: >99.0%
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