CAS RN: 126301-16-4
(S)-Methanesulphonic acid 2-Boc-aminopropyl ester
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.20250201 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-033276
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 | Beijing | Inquiry |
126301-16-4 / [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
Basic Information
CAS
126301-16-4
Multi CAS
No
Molecular Formula
C9H19NO5S
Molecular Weight
253.320000
Exact Mass
253.098394
SMILES
C[C@@H](COS(=O)(=O)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H19NO5S/c1-7(6-14-16(5,12)13)10-8(11)15-9(2,3)4/h7H,6H2,1-5H3,(H,10,11)/t7-/m0/s1
InChIKey
NLKBUJQLMRHSKP-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.63
TPSA
81.7
LogP / Solubility
WLOGP
0.88
MLOGP
0.78
XLogP3
0.8
Consensus LogP
0.82
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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