CAS RN: 7182-21-0
3-Methyl-5-Benzofuranol
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.20251127 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7182-21-0
- Purity/Analytical Methods: >99.0%
7182-21-0 / 3-methyl-1-benzofuran-5-ol
Basic Information
CAS
7182-21-0
Multi CAS
No
Molecular Formula
C9H8O2
Molecular Weight
148.160000
Exact Mass
148.052429
InChI
InChI=1S/C9H8O2/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,10H,1H3
InChIKey
CFWUXOWTWHWMSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.62
TPSA
33.37
LogP / Solubility
WLOGP
2.45
MLOGP
2.15
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-1.89
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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