CAS RN: 76347-62-1
4-(4-BroMophenyl)-2-Methylbut-3-yn-2-ol
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.20250418 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS76347-62-1
- Purity/Analytical Methods: >99.0%
76347-62-1 / 4-(4-bromophenyl)-2-methylbut-3-yn-2-ol
Basic Information
CAS
76347-62-1
Multi CAS
No
Molecular Formula
C11H11BRO
Molecular Weight
239.110000
Exact Mass
237.999330
InChI
InChI=1S/C11H11BrO/c1-11(2,13)8-7-9-3-5-10(12)6-4-9/h3-6,13H,1-2H3
InChIKey
PYMSTKBGLPACHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.32
TPSA
20.23
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
2.7
Consensus LogP
2.51
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly 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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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