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CAS RN: 1472656-81-7
8-((TERT-BUTOXYCARBONYL)AMINO)OCTYL 4-METHYLBENZENESULFONATE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250801 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250427 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250317 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251230 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251118 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-058017
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1472656-81-7 / 8-[(2-methylpropan-2-yl)oxycarbonylamino]octyl 4-methylbenzenesulfonate
Basic Information
CAS
1472656-81-7
Multi CAS
No
Molecular Formula
C20H33NO5S
Molecular Weight
399.500000
Exact Mass
399.207944
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C20H33NO5S/c1-17-11-13-18(14-12-17)27(23,24)25-16-10-8-6-5-7-9-15-21-19(22)26-20(2,3)4/h11-14H,5-10,15-16H2,1-4H3,(H,21,22)
InChIKey
ZPZRUNAYGFZRQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
1
Molar refractivity
106.26
TPSA
81.7
LogP / Solubility
WLOGP
4.57
MLOGP
4.04
XLogP3
4.8
Consensus LogP
4.47
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92
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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