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CAS 27391-16-8 threo-Guaiacylglycerol molecular structure lightbox
CAS RN: 27391-16-8

threo-Guaiacylglycerol

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Batchno.20250506 5mg Out of stock Inquiry
  • Product code: starshine_CAS27391-16-8
  • Purity/Analytical Methods: >99.0%
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27391-16-8 / 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol

Standard CAS: 27391-16-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27391-16-8
Multi CAS
Yes
Molecular Formula
C10H14O5
Molecular Weight
214.210000
Exact Mass
214.084124
InChI
InChI=1S/C10H14O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,10-14H,5H2,1H3/t8-,10-/m1/s1
InChIKey
LSKFUSLVUZISST-PSASIEDQSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
4
Molar refractivity
52.71
TPSA
90.15

LogP / Solubility

WLOGP
-0.21
MLOGP
-0.19
XLogP3
-0.6
Consensus LogP
-0.33
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
Soluble

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
No
Log Kp (skin permeation)
-4.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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