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CAS 94169-63-8 (3,5-Diisopropoxyphenyl)methanol molecular structure lightbox
CAS RN: 94169-63-8

(3,5-Diisopropoxyphenyl)methanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS94169-63-8
  • Purity/Analytical Methods: >99.0%
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94169-63-8 / [3,5-di(propan-2-yloxy)phenyl]methanol

Standard CAS: 94169-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94169-63-8
Multi CAS
No
Molecular Formula
C13H20O3
Molecular Weight
224.300000
Exact Mass
224.141245
InChI
InChI=1S/C13H20O3/c1-9(2)15-12-5-11(8-14)6-13(7-12)16-10(3)4/h5-7,9-10,14H,8H2,1-4H3
InChIKey
HLIPDPDFDSHIGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.89
TPSA
38.69

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
2.6
Consensus LogP
2.59
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly 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)
-2.13

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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