[email protected]
CAS 18997-54-1 PHENYLETHYL BETA-D-GLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 18997-54-1

PHENYLETHYL BETA-D-GLUCOPYRANOSIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS18997-54-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

18997-54-1 / (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol

Standard CAS: 18997-54-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18997-54-1
Multi CAS
No
Molecular Formula
C14H20O6
Molecular Weight
284.300000
Exact Mass
284.125988
SMILES
C1=CC=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey
MLRIJUWUQTVDQE-RKQHYHRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
4
Molar refractivity
69.87
TPSA
99.38

LogP / Solubility

WLOGP
-0.95
MLOGP
-0.83
XLogP3
-0.2
Consensus LogP
-0.66
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-5.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us