CAS RN: 22934-59-4
7-METHOXY-1,3-BENZODIOXIDE-5-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.20260314 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22934-59-4
- Purity/Analytical Methods: >99.0%
22934-59-4 / (7-methoxy-1,3-benzodioxol-5-yl)methanol
Basic Information
CAS
22934-59-4
Multi CAS
No
Molecular Formula
C9H10O4
Molecular Weight
182.170000
Exact Mass
182.057909
SMILES
COC1=CC(=CC2=C1OCO2)CO
InChI
InChI=1S/C9H10O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-3,10H,4-5H2,1H3
InChIKey
JASXSSFBMBHXIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.04
TPSA
47.92
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.8
Consensus LogP
0.84
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-3.18
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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