CAS RN: 1044598-79-9
7-(iodomethyl)pentadecane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251104 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1044598-79-9
- Purity/Analytical Methods: >99.0%
1044598-79-9 / 7-(iodomethyl)pentadecane
7-(iodomethyl)pentadecane | MFCD34596600 | 1-iodo-2-hexyldecane
Basic Information
CAS
1044598-79-9
Multi CAS
No
Molecular Formula
C16H33I
Molecular Weight
352.340000
Exact Mass
352.162700
SMILES
CCCCCCCCC(CCCCCC)CI
InChI
InChI=1S/C16H33I/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3
InChIKey
ISRPCLCPFYVEHU-UHFFFAOYSA-N
Synonyms
7-(iodomethyl)pentadecane
MFCD34596600
1-iodo-2-hexyldecane
2-hexyl-1-iododecane
Pentadecane,7-(iodomethyl)-
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
13
Molar refractivity
89.13
TPSA
0.0000
LogP / Solubility
WLOGP
6.76
MLOGP
5.97
XLogP3
9.3
Consensus LogP
7.34
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.12
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
Yes
Log Kp (skin permeation)
-0.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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