CAS RN: 3862-29-1
Hexadecanoic acid, 3,7,11,15-tetramethyl-, ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251117 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3862-29-1
- Purity/Analytical Methods: >99.0%
3862-29-1 / ethyl 3,7,11,15-tetramethylhexadecanoate
Basic Information
CAS
3862-29-1
Multi CAS
No
Molecular Formula
C22H44O2
Molecular Weight
340.600000
Exact Mass
340.334131
InChI
InChI=1S/C22H44O2/c1-7-24-22(23)17-21(6)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h18-21H,7-17H2,1-6H3
InChIKey
RDNOHEMCCBNRKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.95
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
105.13
TPSA
26.3
LogP / Solubility
WLOGP
7.01
MLOGP
6.19
XLogP3
9
Consensus LogP
7.4
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
0.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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