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CAS 18403-12-8 Benzyl-a-D-xylopyranoside molecular structure lightbox
CAS RN: 18403-12-8

Benzyl-a-D-xylopyranoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 1g / 5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS18403-12-8
  • Purity/Analytical Methods: >99.0%
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18403-12-8 / (2S,3R,4S,5R)-2-phenylmethoxyoxane-3,4,5-triol

Standard CAS: 18403-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18403-12-8
Multi CAS
No
Molecular Formula
C12H16O5
Molecular Weight
240.250000
Exact Mass
240.099774
SMILES
C1[C@H]([C@@H]([C@H]([C@H](O1)OCC2=CC=CC=C2)O)O)O
InChI
InChI=1S/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12+/m1/s1
InChIKey
XUGMDBJXWCFLRQ-KXNHARMFSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
58.99
TPSA
79.15

LogP / Solubility

WLOGP
-0.36
MLOGP
-0.31
XLogP3
-0.5
Consensus LogP
-0.39
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
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)
-4.44

Drug-likeness / Medicinal Chemistry

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

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