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CAS 9082-00-2 GLYCEROL PROPOXYLATE-B-ETHOXYLATE molecular structure lightbox
CAS RN: 9082-00-2

GLYCEROL PROPOXYLATE-B-ETHOXYLATE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250211 50g In stock Inquiry
  • Product code: starshine_CAS9082-00-2
  • Purity/Analytical Methods: >99.0%
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9082-00-2 / ethane-1,2-diol;propane-1,2-diol;propane-1,2,3-triol

Standard CAS: 9082-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
9082-00-2
Multi CAS
No
Molecular Formula
C8H22O7
Molecular Weight
230.260000
Exact Mass
230.136553
InChI
InChI=1S/C3H8O3.C3H8O2.C2H6O2/c4-1-3(6)2-5;1-3(5)2-4;3-1-2-4/h3-6H,1-2H2;3-5H,2H2,1H3;3-4H,1-2H2
InChIKey
VKVYTKULMKDWLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
7
Molar refractivity
53.12
TPSA
141.61

LogP / Solubility

WLOGP
-3.34
MLOGP
-2.93
XLogP3
-3.34
Consensus LogP
-3.2
Log S (ESOL)
1.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.96
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.13
Class (SILICOS-IT)
Highly 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)
-6.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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