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CAS 25026-32-8 M-CRESOL-D3 (METHYL-D3) molecular structure lightbox
CAS RN: 25026-32-8

M-CRESOL-D3 (METHYL-D3)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 10mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS25026-32-8
  • Purity/Analytical Methods: >99.0%
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25026-32-8 / 3-(trideuteriomethyl)phenol

Standard CAS: 25026-32-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25026-32-8
Multi CAS
No
Molecular Formula
C7H8O
Molecular Weight
111.160000
Exact Mass
111.076345
SMILES
[2H]C([2H])([2H])C1=CC(=CC=C1)O
InChI
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3/i1D3
InChIKey
RLSSMJSEOOYNOY-FIBGUPNXSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.84
TPSA
20.23

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
2
Consensus LogP
1.73
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-2.17

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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