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CAS 17910-09-7 Curzerene molecular structure lightbox
CAS RN: 17910-09-7

Curzerene

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250922 10mg Out of stock Inquiry
Batchno.20251116 1mg Out of stock Inquiry
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  • Product code: starshine_CAS17910-09-7
  • Purity/Analytical Methods: >99.0%
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17910-09-7 / (5R,6R)-6-ethyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran

Standard CAS: 17910-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17910-09-7
Multi CAS
No
Molecular Formula
C15H22O
Molecular Weight
218.330000
Exact Mass
218.167065
SMILES
CC[C@@]1(CC2=C(C[C@@H]1C(=C)C)C(=CO2)C)C
InChI
InChI=1S/C15H22O/c1-6-15(5)8-14-12(11(4)9-16-14)7-13(15)10(2)3/h9,13H,2,6-8H2,1,3-5H3/t13-,15-/m1/s1
InChIKey
SLEDFMXZSQPLHT-UKRRQHHQSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
67.56
TPSA
13.14

LogP / Solubility

WLOGP
4.3
MLOGP
3.78
XLogP3
4.9
Consensus LogP
4.33
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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)
-1

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
2.5

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