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CAS 621-32-9 m-methylphenetole molecular structure lightbox
CAS RN: 621-32-9

m-methylphenetole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS621-32-9
  • Purity/Analytical Methods: >99.0%
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621-32-9 / 1-ethoxy-3-methylbenzene

Standard CAS: 621-32-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
621-32-9
Multi CAS
Yes
Molecular Formula
C9H12O
Molecular Weight
136.190000
Exact Mass
136.088815
InChI
InChI=1S/C9H12O/c1-3-10-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey
UALKQROXOHJHFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
42.35
TPSA
9.23

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
3
Consensus LogP
2.5
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-1.85

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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