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CAS 28767-74-0 D-Arabinose phenyl hydrazone molecular structure lightbox
CAS RN: 28767-74-0

D-Arabinose phenyl hydrazone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS28767-74-0
  • Purity/Analytical Methods: >99.0%
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28767-74-0 / 5-(phenylhydrazinylidene)pentane-1,2,3,4-tetrol

Standard CAS: 28767-74-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28767-74-0
Multi CAS
No
Molecular Formula
C11H16N2O4
Molecular Weight
240.260000
Exact Mass
240.111007
SMILES
C1=CC=C(C=C1)NN=CC(C(C(CO)O)O)O
InChI
InChI=1S/C11H16N2O4/c14-7-10(16)11(17)9(15)6-12-13-8-4-2-1-3-5-8/h1-6,9-11,13-17H,7H2
InChIKey
UJFBUGYDKFCOBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
5
Molar refractivity
63.66
TPSA
105.31

LogP / Solubility

WLOGP
-0.84
MLOGP
-0.73
XLogP3
-0.1
Consensus LogP
-0.56
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.24
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)
-4.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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