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CAS 640289-58-3 4(15)-Oppositene-1,7-diol molecular structure lightbox
CAS RN: 640289-58-3

4(15)-Oppositene-1,7-diol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250106 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS640289-58-3
  • Purity/Analytical Methods: >99.0%
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640289-58-3 / (1S,3aR,4R,7aS)-1-[(1R)-1-hydroxy-2-methylpropyl]-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol

Standard CAS: 640289-58-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
640289-58-3
Multi CAS
Yes
Molecular Formula
C15H26O2
Molecular Weight
238.370000
Exact Mass
238.193280
InChI
InChI=1S/C15H26O2/c1-9(2)14(17)11-7-8-15(4)12(16)6-5-10(3)13(11)15/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13+,14+,15-/m0/s1
InChIKey
OZBVMKPZPKMEGY-JARUQAPTSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.55
TPSA
40.46

LogP / Solubility

WLOGP
2.75
MLOGP
2.42
XLogP3
2.6
Consensus LogP
2.59
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly 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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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