CAS RN: 27043-36-3
GLYCEROL DIGLYCIDYL ETHER
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS27043-36-3
- Purity/Analytical Methods: >99.0%
27043-36-3 / 1,3-bis(oxiran-2-ylmethoxy)propan-2-ol
Basic Information
CAS
27043-36-3
Multi CAS
No
Molecular Formula
C9H16O5
Molecular Weight
204.220000
Exact Mass
204.099774
SMILES
C1C(O1)COCC(COCC2CO2)O
InChI
InChI=1S/C9H16O5/c10-1-7(12-5-9-6-14-9)2-11-3-8-4-13-8/h7-10H,1-6H2
InChIKey
IVIDDMGBRCPGLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.12
TPSA
63.75
LogP / Solubility
WLOGP
-0.82
MLOGP
-0.72
XLogP3
-1.3
Consensus LogP
-0.95
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.55
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
2.5
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