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CAS 59634-75-2 1-O-Galloyl-glycerol molecular structure lightbox
CAS RN: 59634-75-2

1-O-Galloyl-glycerol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 10mg / 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS59634-75-2
  • Purity/Analytical Methods: >99.0%
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59634-75-2 / 2,3-dihydroxypropyl 3,4,5-trihydroxybenzoate

Standard CAS: 59634-75-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
59634-75-2
Multi CAS
No
Molecular Formula
C10H12O7
Molecular Weight
244.200000
Exact Mass
244.058303
InChI
InChI=1S/C10H12O7/c11-3-6(12)4-17-10(16)5-1-7(13)9(15)8(14)2-5/h1-2,6,11-15H,3-4H2
InChIKey
PDEQYQCQYAQJPN-UHFFFAOYSA-N

Physical Properties

Melting Point
188 - 190 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
5
Molar refractivity
54.81
TPSA
127.45

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.6
XLogP3
-0.4
Consensus LogP
-0.56
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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