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CAS 87261-77-6 7-Epi-5-eudesmene-1beta,11-diol molecular structure lightbox
CAS RN: 87261-77-6

7-Epi-5-eudesmene-1beta,11-diol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS87261-77-6
  • Purity/Analytical Methods: >99.0%
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87261-77-6 / (1R,4S,6S,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol

Standard CAS: 87261-77-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87261-77-6
Multi CAS
Yes
Molecular Formula
C15H26O2
Molecular Weight
238.370000
Exact Mass
238.193280
InChI
InChI=1S/C15H26O2/c1-10-5-6-13(16)15(4)8-7-11(9-12(10)15)14(2,3)17/h9-11,13,16-17H,5-8H2,1-4H3/t10-,11-,13+,15+/m0/s1
InChIKey
YNBRPGOINKTYTG-HTTKSJEASA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.62
TPSA
40.46

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.2
Consensus LogP
2.55
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
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)
-2.12

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
3.5

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