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CAS 19431-84-6 Curcumenol molecular structure lightbox
CAS RN: 19431-84-6

Curcumenol

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 100mg In stock Shanghai Inquiry
Batchno.20260322 250mg In stock Shanghai Inquiry
Batchno.20250706 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS19431-84-6
  • Purity/Analytical Methods: >99.0%
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19431-84-6 / (1S,2S,5S,8R)-2,6-dimethyl-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01,5]undec-6-en-8-ol

Standard CAS: 19431-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19431-84-6
Multi CAS
No
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
SMILES
C[C@H]1CC[C@@H]2[C@]13CC(=C(C)C)[C@](O3)(C=C2C)O
InChI
InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3/t11-,12-,14-,15+/m0/s1
InChIKey
ISFMXVMWEWLJGJ-NZBPQXDJSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.73
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.4
TPSA
29.46

LogP / Solubility

WLOGP
3.18
MLOGP
2.8
XLogP3
2.2
Consensus LogP
2.73
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-1.89

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
6.5

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