CAS RN: 114562-65-1
6-BROMO-1-HYDROXYPYRENE
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.20260216 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS114562-65-1
- Purity/Analytical Methods: >99.0%
114562-65-1 / 6-bromopyren-1-ol
6-bromopyren-1-ol | 6-Bromo-1-hydroxypyrene | SCHEMBL17063693
Basic Information
CAS
114562-65-1
Multi CAS
No
Molecular Formula
C16H9BrO
Molecular Weight
297.140000
Exact Mass
295.983680
SMILES
C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)Br)O
InChI
InChI=1S/C16H9BrO/c17-13-7-3-9-2-6-12-14(18)8-4-10-1-5-11(13)15(9)16(10)12/h1-8,18H
InChIKey
XFLCKLCWZVOBOX-UHFFFAOYSA-N
Synonyms
6-bromopyren-1-ol
6-Bromo-1-hydroxypyrene
SCHEMBL17063693
DTXSID00679432
PEA56265
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
H-bond acceptors
1
H-bond donors
1
Molar refractivity
79.51
TPSA
20.23
LogP / Solubility
WLOGP
5.05
MLOGP
4.46
XLogP3
5.4
Consensus LogP
4.97
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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