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CAS 36132-95-3 4-Methoxy-1,2-benzenedimethanol molecular structure lightbox
CAS RN: 36132-95-3

4-Methoxy-1,2-benzenedimethanol

  • Product code: SSC-143252
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 36132-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

36132-95-3 / [2-(hydroxymethyl)-4-methoxyphenyl]methanol

Standard CAS: 36132-95-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36132-95-3
Multi CAS
No
Molecular Formula
C9H12O3
Molecular Weight
168.190000
Exact Mass
168.078644
InChI
InChI=1S/C9H12O3/c1-12-9-3-2-7(5-10)8(4-9)6-11/h2-4,10-11H,5-6H2,1H3
InChIKey
MGCMGVSCUAVGLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.84
TPSA
49.69

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
0.1
Consensus LogP
0.46
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.26

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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