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CAS 143615-76-3 (3S,5S)-[6]-Gingerdiol molecular structure lightbox
CAS RN: 143615-76-3

(3S,5S)-[6]-Gingerdiol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250317 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS143615-76-3
  • Purity/Analytical Methods: >99.0%
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143615-76-3 / (3S,5S)-1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol

Standard CAS: 143615-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143615-76-3
Multi CAS
No
Molecular Formula
C17H28O4
Molecular Weight
296.400000
Exact Mass
296.198759
SMILES
CCCCC[C@@H](C[C@H](CCC1=CC(=C(C=C1)O)OC)O)O
InChI
InChI=1S/C17H28O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14-15,18-20H,3-7,9,12H2,1-2H3/t14-,15-/m0/s1
InChIKey
QYXKQNMJTHPKBP-GJZGRUSLSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
3
Molar refractivity
83.75
TPSA
69.92

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
3
Consensus LogP
2.9
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly 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)
-2.38

Drug-likeness / Medicinal Chemistry

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

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