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CAS 4798-62-3 (E)-6-Methyl-2-hepten-4-ol molecular structure lightbox
CAS RN: 4798-62-3

(E)-6-Methyl-2-hepten-4-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4798-62-3
  • Purity/Analytical Methods: >99.0%
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4798-62-3 / 6-methylhept-2-en-4-ol

Standard CAS: 4798-62-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4798-62-3
Multi CAS
Yes
Molecular Formula
C8H16O
Molecular Weight
128.210000
Exact Mass
128.120115
InChI
InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h4-5,7-9H,6H2,1-3H3
InChIKey
RQAFKZOPSRTJDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.28
TPSA
20.23

LogP / Solubility

WLOGP
1.97
MLOGP
1.72
XLogP3
2.1
Consensus LogP
1.93
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.1

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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