CAS RN: 36575-82-3
DIMETHYL PENTADECANEDIOATE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS36575-82-3
- Purity/Analytical Methods: >99.0%
36575-82-3 / dimethyl pentadecanedioate
Basic Information
CAS
36575-82-3
Multi CAS
No
Molecular Formula
C17H32O4
Molecular Weight
300.400000
Exact Mass
300.230060
InChI
InChI=1S/C17H32O4/c1-20-16(18)14-12-10-8-6-4-3-5-7-9-11-13-15-17(19)21-2/h3-15H2,1-2H3
InChIKey
IAYJBOCIXHISNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
84.05
TPSA
52.6
LogP / Solubility
WLOGP
4.4
MLOGP
3.89
XLogP3
5.7
Consensus LogP
4.66
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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