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CAS 6226-39-7 bicyclo[4.1.0]heptan-7-ylmethanol molecular structure lightbox
CAS RN: 6226-39-7

bicyclo[4.1.0]heptan-7-ylmethanol

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250404 50mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS6226-39-7
  • Purity/Analytical Methods: >99.0%
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6226-39-7 / 7-bicyclo[4.1.0]heptanylmethanol

Standard CAS: 6226-39-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6226-39-7
Multi CAS
No
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
InChI
InChI=1S/C8H14O/c9-5-8-6-3-1-2-4-7(6)8/h6-9H,1-5H2
InChIKey
GZLMTRILKYKTOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.02
TPSA
20.23

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
2
Consensus LogP
1.55
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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