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CAS 143615-75-2 Diacetoxy-6-gingerdiol molecular structure lightbox
CAS RN: 143615-75-2

Diacetoxy-6-gingerdiol

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3 package records0 with current stock2 grade groups
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Batchno.20251018 5mg Out of stock 15 business days Inquiry
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  • Product code: starshine_CAS143615-75-2
  • Purity/Analytical Methods: >99.0%
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143615-75-2 / [(3R,5S)-3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate

Standard CAS: 143615-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143615-75-2
Multi CAS
No
Molecular Formula
C21H32O6
Molecular Weight
380.500000
Exact Mass
380.219889
SMILES
CCCCC[C@@H](C[C@@H](CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C
InChI
InChI=1S/C21H32O6/c1-5-6-7-8-18(26-15(2)22)14-19(27-16(3)23)11-9-17-10-12-20(24)21(13-17)25-4/h10,12-13,18-19,24H,5-9,11,14H2,1-4H3/t18-,19+/m0/s1
InChIKey
PXBFKEHWQRAQQD-RBUKOAKNSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
1
Molar refractivity
102.85
TPSA
82.06

LogP / Solubility

WLOGP
4.17
MLOGP
3.69
XLogP3
4.8
Consensus LogP
4.22
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.03
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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