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CAS 72732-54-8 P-NITROPHENYL BETA-L-ARABINOPYRANOSIDE molecular structure lightbox
CAS RN: 72732-54-8

P-NITROPHENYL BETA-L-ARABINOPYRANOSIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS72732-54-8
  • Purity/Analytical Methods: >99.0%
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72732-54-8 / 2-(4-nitrophenoxy)oxane-3,4,5-triol

Standard CAS: 72732-54-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72732-54-8
Multi CAS
Yes
Molecular Formula
C11H13NO7
Molecular Weight
271.220000
Exact Mass
271.069202
InChI
InChI=1S/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2
InChIKey
MLJYKRYCCUGBBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
61.48
TPSA
122.29

LogP / Solubility

WLOGP
-0.59
MLOGP
-0.51
XLogP3
-0.3
Consensus LogP
-0.47
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-4.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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