CAS RN: 172304-05-1
tert-Butyl 12-bromododecanoate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251201 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-075765
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 5g, 0.25g, 10g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >95% | 0 Out of Stock | Beijing | Inquiry |
172304-05-1 / tert-butyl 12-bromododecanoate
Basic Information
CAS
172304-05-1
Multi CAS
No
Molecular Formula
C16H31BrO2
Molecular Weight
335.320000
Exact Mass
334.150740
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCBr
InChI
InChI=1S/C16H31BrO2/c1-16(2,3)19-15(18)13-11-9-7-5-4-6-8-10-12-14-17/h4-14H2,1-3H3
InChIKey
JIDZOYCJORLRMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
85.81
TPSA
26.3
LogP / Solubility
WLOGP
5.62
MLOGP
4.97
XLogP3
6.1
Consensus LogP
5.56
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
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)
-0.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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