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CAS 4319-68-0 4′-Deoxyphlorizin molecular structure lightbox
CAS RN: 4319-68-0

4′-Deoxyphlorizin

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250608 1mg / 5mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4319-68-0
  • Purity/Analytical Methods: >99.0%
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4319-68-0 / 3-(4-hydroxyphenyl)-1-[2-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one

Standard CAS: 4319-68-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4319-68-0
Multi CAS
Yes
Molecular Formula
C21H24O9
Molecular Weight
420.400000
Exact Mass
420.142032
InChI
InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-3-1-2-13(24)17(15)14(25)9-6-11-4-7-12(23)8-5-11/h1-5,7-8,16,18-24,26-28H,6,9-10H2
InChIKey
KOTXSQPZNZHNFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
6
Molar refractivity
103.26
TPSA
156.91

LogP / Solubility

WLOGP
0.09
MLOGP
0.11
XLogP3
1.5
Consensus LogP
0.57
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.22

Drug-likeness / Medicinal Chemistry

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

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