CAS RN: 2011713-75-8
tert-Butyl 8-iodooctylcarbamate
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260302 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250910 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260531 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250701 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250602 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251226 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS2011713-75-8
- Purity/Analytical Methods: >99.0%
2011713-75-8 / tert-butyl N-(8-iodooctyl)carbamate
Basic Information
CAS
2011713-75-8
Multi CAS
No
Molecular Formula
C13H26INO2
Molecular Weight
355.260000
Exact Mass
355.100830
SMILES
CC(C)(C)OC(=O)NCCCCCCCCI
InChI
InChI=1S/C13H26INO2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14/h4-11H2,1-3H3,(H,15,16)
InChIKey
PCASIJXKVSNHTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
80.83
TPSA
38.33
LogP / Solubility
WLOGP
4.29
MLOGP
3.79
XLogP3
5.1
Consensus LogP
4.39
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.49
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84
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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