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CAS 4871-97-0 Curcumol molecular structure lightbox
CAS RN: 4871-97-0

Curcumol

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250529 100mg In stock Chengdu Inquiry
Batchno.20260225 10mg In stock Shanghai Inquiry
Batchno.20251216 1g In stock Shenzhen Inquiry
Batchno.20260330 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250905 250mg In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260413 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: ICTC3439
  • Purity/Analytical Methods: >98.0%(GC)
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4871-97-0 / (2S,5S,8S,9S)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

Standard CAS: 4871-97-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4871-97-0
Multi CAS
Yes
Molecular Formula
C15H24O2
Molecular Weight
236.350000
Exact Mass
236.177630
InChI
InChI=1S/C15H24O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1
InChIKey
QRMPRVXWPCLVNI-XIQJJJERSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.36
TPSA
29.46

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
2.8
Consensus LogP
2.88
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-1.95

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
7

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