CAS RN: 6540-99-4
POLYOXYETHYLENE 10 LAURYL ETHER
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS6540-99-4
- Purity/Analytical Methods: >99.0%
6540-99-4 / 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Basic Information
CAS
6540-99-4
Multi CAS
No
Molecular Formula
C32H66O11
Molecular Weight
626.900000
Exact Mass
626.460513
InChI
InChI=1S/C32H66O11/c1-2-3-4-5-6-7-8-9-10-11-13-34-15-17-36-19-21-38-23-25-40-27-29-42-31-32-43-30-28-41-26-24-39-22-20-37-18-16-35-14-12-33/h33H,2-32H2,1H3
InChIKey
KOMQWDINDMFMPD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Fraction Csp3
1
Rotatable bonds
40
H-bond acceptors
11
H-bond donors
1
Molar refractivity
167.12
TPSA
112.53
LogP / Solubility
WLOGP
4.07
MLOGP
3.63
XLogP3
3.8
Consensus LogP
3.83
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-7.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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- Product Code: starshine_CAS6554-10-5
- Purity/Analytical method: >99.0%
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