CAS RN: 36062-05-2

HEXAHYDROCURCUMIN

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7 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 100mg Out of stock Inquiry
Batchno.20250506 10mg In stock Shanghai Inquiry
Batchno.20251007 1mg In stock Shanghai Inquiry
Batchno.20251225 250mg Out of stock Inquiry
Batchno.20250113 25mg Out of stock Inquiry
Batchno.20250822 50mg In stock Shenzhen Inquiry
Batchno.20250114 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS36062-05-2
  • Purity/Analytical Methods: >99.0%
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36062-05-2 / 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one

Standard CAS: 36062-05-2 Multi CAS: Yes

Basic Information

CAS
36062-05-2
Multi CAS
Yes
Molecular Formula
C21H26O6
Molecular Weight
374.400000
Exact Mass
374.172939
InChI
InChI=1S/C21H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16,22,24-25H,3-4,7-8,13H2,1-2H3
InChIKey
RSAHICAPUYTWHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
3
Molar refractivity
101.59
TPSA
96.22

LogP / Solubility

WLOGP
3
MLOGP
2.66
XLogP3
2.7
Consensus LogP
2.79
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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