CAS RN: 177472-33-2
(R)-2-(Boc-amino)-4-bromobutyric acid methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250319 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-077584
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 |
177472-33-2 / methyl (2R)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Basic Information
CAS
177472-33-2
Multi CAS
No
Molecular Formula
C10H18BrNO4
Molecular Weight
296.160000
Exact Mass
295.041920
SMILES
CC(C)(C)OC(=O)N[C@H](CCBr)C(=O)OC
InChI
InChI=1S/C10H18BrNO4/c1-10(2,3)16-9(14)12-7(5-6-11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14)/t7-/m1/s1
InChIKey
MBWPBNACYMMIKZ-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.58
TPSA
64.63
LogP / Solubility
WLOGP
1.84
MLOGP
1.63
XLogP3
2
Consensus LogP
1.82
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
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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