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CAS 5340-36-3 3-METHYL-3-OCTANOL molecular structure lightbox
CAS RN: 5340-36-3

3-METHYL-3-OCTANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250720 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS5340-36-3
  • Purity/Analytical Methods: >99.0%
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5340-36-3 / 3-methyloctan-3-ol

Standard CAS: 5340-36-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5340-36-3
Multi CAS
Yes
Molecular Formula
C9H20O
Molecular Weight
144.250000
Exact Mass
144.151415
InChI
InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3
InChIKey
JEWXYDDSLPIBBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.06
TPSA
20.23

LogP / Solubility

WLOGP
2.73
MLOGP
2.39
XLogP3
3
Consensus LogP
2.71
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.46
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)
-1.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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