![CAS 318247-56-2 (5-[(4-BROMOPHENYL)SULFANYL]-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6341947(1).gif)
CAS RN: 318247-56-2
(5-[(4-BROMOPHENYL)SULFANYL]-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)METHANOL
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.20260127 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS318247-56-2
- Purity/Analytical Methods: >99.0%
318247-56-2 / [5-(4-bromophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methanol
Basic Information
CAS
318247-56-2
Multi CAS
No
Molecular Formula
BC17H15ORn2S
Molecular Weight
375.300000
Exact Mass
374.008850
InChI
InChI=1S/C17H15BrN2OS/c1-20-17(22-14-9-7-13(18)8-10-14)15(11-21)16(19-20)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3
InChIKey
UZPXOUHEPKIFIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
92.83
TPSA
38.05
LogP / Solubility
WLOGP
4.49
MLOGP
3.97
XLogP3
4.1
Consensus LogP
4.19
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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