CAS RN: 1065473-05-3
2-Methoxy-d3-phenol–d4
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.20260205 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1065473-05-3
- Purity/Analytical Methods: >99.0%
1065473-05-3 / 2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenol
guaiacol | 2-Methoxyphenol | o-Methoxyphenol
Basic Information
CAS
1065473-05-3
Multi CAS
Yes
Molecular Formula
C7H8O2
Molecular Weight
131.180000
Exact Mass
131.096367
SMILES
[2H]C1=C(C(=C(C(=C1[2H])O)OC([2H])([2H])[2H])[2H])[2H]
InChI
InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i1D3,2D,3D,4D,5D
InChIKey
LHGVFZTZFXWLCP-AAYPNNLASA-N
Synonyms
guaiacol
2-Methoxyphenol
o-Methoxyphenol
2-Hydroxyanisole
o-Guaiacol
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.66
TPSA
29.46
LogP / Solubility
WLOGP
1.4
MLOGP
1.22
XLogP3
1.3
Consensus LogP
1.31
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-2.48
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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