CAS RN: 1000548-28-6
2-(Benzofuran-5-Yl)Ethanol
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.20250515 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1000548-28-6
- Purity/Analytical Methods: >99.0%
1000548-28-6 / 2-(1-benzofuran-5-yl)ethanol
1000548-28-6 | 2-(1-benzofuran-5-yl)ethan-1-ol | RefChem:450841
Basic Information
CAS
1000548-28-6
Multi CAS
No
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
SMILES
C1=CC2=C(C=CO2)C=C1CCO
InChI
InChI=1S/C10H10O2/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7,11H,3,5H2
InChIKey
DHMMVORZGKYTQM-UHFFFAOYSA-N
Synonyms
1000548-28-6
2-(1-benzofuran-5-yl)ethan-1-ol
RefChem:450841
866-475-9
2-(BENZOFURAN-5-YL)ETHANOL
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47
TPSA
33.37
LogP / Solubility
WLOGP
1.97
MLOGP
1.73
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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