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CAS 344396-18-5 (3,5-dimethoxy-4-propan-2-yl-phenyl)methanol molecular structure lightbox
CAS RN: 344396-18-5

(3,5-dimethoxy-4-propan-2-yl-phenyl)methanol

  • Product code: SSC-140901
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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 344396-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

344396-18-5 / (3,5-dimethoxy-4-propan-2-ylphenyl)methanol

Standard CAS: 344396-18-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
344396-18-5
Multi CAS
No
Molecular Formula
C12H18O3
Molecular Weight
210.270000
Exact Mass
210.125594
InChI
InChI=1S/C12H18O3/c1-8(2)12-10(14-3)5-9(7-13)6-11(12)15-4/h5-6,8,13H,7H2,1-4H3
InChIKey
GQFPCOJJIOUSMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.56
TPSA
38.69

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
2.1
Consensus LogP
2.15
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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