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CAS 58917-27-4 (R)-(-)-6-METHYL-5-HEPTEN-2-OL molecular structure lightbox
CAS RN: 58917-27-4

(R)-(-)-6-METHYL-5-HEPTEN-2-OL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250228 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS58917-27-4
  • Purity/Analytical Methods: >99.0%
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58917-27-4 / 6-methylhept-5-en-2-ol

Standard CAS: 58917-27-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58917-27-4
Multi CAS
Yes
Molecular Formula
C8H16O
Molecular Weight
128.210000
Exact Mass
128.120115
InChI
InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3/t8-/m1/s1
InChIKey
OHEFFKYYKJVVOX-MRVPVSSYSA-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
40.35
TPSA
20.23

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
2.3
Consensus LogP
2.09
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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

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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