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CAS 514-51-2 [1S-(1alpha,4alpha,7alpha)]-1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene molecular structure lightbox
CAS RN: 514-51-2

[1S-(1alpha,4alpha,7alpha)]-1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250303 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS514-51-2
  • Purity/Analytical Methods: >99.0%
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514-51-2 / 1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene

Standard CAS: 514-51-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
514-51-2
Multi CAS
Yes
Molecular Formula
C15H24
Molecular Weight
204.350000
Exact Mass
204.187801
InChI
InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3
InChIKey
CSKINCSXMLCMAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.87
Molar refractivity
64.65
TPSA
0.0000

LogP / Solubility

WLOGP
4.56
MLOGP
4.01
XLogP3
4.3
Consensus LogP
4.29
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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