CAS RN: 62501-72-8
(R)-2-(Hydroxymethyl)-1,4-benzodioxane
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.20250728 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR926561
62501-72-8 / [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
Basic Information
CAS
62501-72-8
Multi CAS
Yes
Molecular Formula
C9H10O3
Molecular Weight
166.170000
Exact Mass
166.062994
InChI
InChI=1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2/t7-/m1/s1
InChIKey
GWQOQQVKVOOHTI-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.44
TPSA
38.69
LogP / Solubility
WLOGP
0.82
MLOGP
0.72
XLogP3
1
Consensus LogP
0.85
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
rac 3-Bocamino-2-benzyl-propionic acid, 96% (HPLC)
- CAS RN: 26250-90-8
- Product Code: LINB919788
-
-
-
R-3,3′-di-9-phenanthrenyl-1,1′-Binaphthalene]-2,2′-diol, 98%，ee99%
- CAS RN: 1058734-56-7
- Product Code: SSC-007538
-
R-3,3′-Di-1-pyrenyl-1,1′-bi-2-naphthol, 98%，ee99%
- CAS RN: 1854074-51-3
- Product Code: SSC-085811
-
(R)-3,3′-Bis(9-phenanthrenyl)-1,1′-binaphthyl-2,2′-diyl Hydrogen Phosphate, 98%，ee99%
- CAS RN: 864943-22-6
- Product Code: SSC-195605
![CAS 1058734-56-7 R-3,3′-di-9-phenanthrenyl-1,1′-Binaphthalene]-2,2′-diol, 98%，ee99% molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1058734-56-7.png)
