CAS RN: 149930-92-7
BOC-D-2-AMINO-4-BROMO-4-PENTENOIC ACID
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.20260209 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-059842
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 | Shanghai | Inquiry |
149930-92-7 / (2R)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
Basic Information
CAS
149930-92-7
Multi CAS
No
Molecular Formula
C10H16BrNO4
Molecular Weight
294.140000
Exact Mass
293.026270
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=C)Br)C(=O)O
InChI
InChI=1S/C10H16BrNO4/c1-6(11)5-7(8(13)14)12-9(15)16-10(2,3)4/h7H,1,5H2,2-4H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKey
AKUQAUPMGSKZIY-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.48
TPSA
75.63
LogP / Solubility
WLOGP
2.26
MLOGP
2
XLogP3
2.1
Consensus LogP
2.12
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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