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CAS 207127-50-2 CIS-DECAHYDRO-1-NAPHTHOL molecular structure lightbox
CAS RN: 207127-50-2

CIS-DECAHYDRO-1-NAPHTHOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS207127-50-2
  • Purity/Analytical Methods: >99.0%
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207127-50-2 / (4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

Standard CAS: 207127-50-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207127-50-2
Multi CAS
No
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
SMILES
C1CC[C@@H]2[C@H](C1)CCCC2O
InChI
InChI=1S/C10H18O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-11H,1-7H2/t8-,9-,10?/m1/s1
InChIKey
NDZOISQLWLWLEW-MGRQHWMJSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.31
TPSA
20.23

LogP / Solubility

WLOGP
2.34
MLOGP
2.05
XLogP3
2.9
Consensus LogP
2.43
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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
3

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