CAS RN: 7333-33-7

UDP–D-Glucose (sodium salt)

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  • Product code: starshine_CAS7333-33-7
  • Purity/Analytical Methods: >99.0%
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7333-33-7 / [4-(2-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate

Standard CAS: 7333-33-7 Multi CAS: Yes

Basic Information

CAS
7333-33-7
Multi CAS
Yes
Molecular Formula
C19H20O2
Molecular Weight
280.400000
Exact Mass
280.146330
InChI
InChI=1S/C15H24N2O17P2.2Na/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25;;/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25);;/q;2*+1/p-2/t5-,6-,8-,9-,10+,11-,12-,13-,14+;;/m1../s1
InChIKey
PKJQEQVCYGYYMM-BYFFMYLLSA-L

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
85.46
TPSA
26.3

LogP / Solubility

WLOGP
4.49
MLOGP
3.96
XLogP3
5.4
Consensus LogP
4.62
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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