CAS RN: 4567-98-0
DIMETHYL UNDECANEDIOATE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS4567-98-0
- Purity/Analytical Methods: >99.0%
4567-98-0 / dimethyl undecanedioate
Basic Information
CAS
4567-98-0
Multi CAS
Yes
Molecular Formula
C13H24O4
Molecular Weight
244.330000
Exact Mass
244.167459
InChI
InChI=1S/C13H24O4/c1-16-12(14)10-8-6-4-3-5-7-9-11-13(15)17-2/h3-11H2,1-2H3
InChIKey
LADJFIHHYMBJHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
65.59
TPSA
52.6
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
3.5
Consensus LogP
2.95
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-2.19
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
1.5
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- Product Code: starshine_CAS4569-98-6
- Purity/Analytical method: >99.0%
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