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CAS 1082373-80-5 7-HydroxyMethyl-spiro[3.5]nonane molecular structure lightbox
CAS RN: 1082373-80-5

7-HydroxyMethyl-spiro[3.5]nonane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1082373-80-5
  • Purity/Analytical Methods: >99.0%
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1082373-80-5 / spiro[3.5]nonan-7-ylmethanol

spiro[3.5]nonan-7-ylmethanol | 7-Hydroxymethyl-spiro[3.5]nonane | Spiro[3.5]nonane-7-methanol

Standard CAS: 1082373-80-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1082373-80-5
Multi CAS
No
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
SMILES
C1CC2(C1)CCC(CC2)CO
InChI
InChI=1S/C10H18O/c11-8-9-2-6-10(7-3-9)4-1-5-10/h9,11H,1-8H2
InChIKey
WYUQBTXXIUBCLJ-UHFFFAOYSA-N
Synonyms
spiro[3.5]nonan-7-ylmethanol 7-Hydroxymethyl-spiro[3.5]nonane Spiro[3.5]nonane-7-methanol MFCD11501382 SCHEMBL3599242

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.33
TPSA
20.23

LogP / Solubility

WLOGP
2.34
MLOGP
2.05
XLogP3
2.9
Consensus LogP
2.43
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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
Leadlikeness
No
Synthetic Accessibility
2.5

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