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CAS 19764-35-3 3-(4-Hydroxyphenyl)-2-propenyl β-D-glucopyranoside molecular structure lightbox
CAS RN: 19764-35-3

3-(4-Hydroxyphenyl)-2-propenyl β-D-glucopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS19764-35-3
  • Purity/Analytical Methods: >99.0%
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19764-35-3 / (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol

Standard CAS: 19764-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19764-35-3
Multi CAS
No
Molecular Formula
C15H20O7
Molecular Weight
312.310000
Exact Mass
312.120903
SMILES
C1=CC(=CC=C1/C=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C15H20O7/c16-8-11-12(18)13(19)14(20)15(22-11)21-7-1-2-9-3-5-10(17)6-4-9/h1-6,11-20H,7-8H2/b2-1+/t11-,12-,13+,14-,15-/m1/s1
InChIKey
CNNXMGXBAZQZDE-HHMSBIESSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
5
Molar refractivity
76.86
TPSA
119.61

LogP / Solubility

WLOGP
-0.78
MLOGP
-0.67
XLogP3
-0.4
Consensus LogP
-0.62
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-5.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

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