CAS RN: 137524-82-4
BOC-D-ORN(BOC)-OH
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-047223
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 |
137524-82-4 / (2R)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Basic Information
CAS
137524-82-4
Multi CAS
No
Molecular Formula
C15H28N2O6
Molecular Weight
332.390000
Exact Mass
332.194737
SMILES
CC(C)(C)OC(=O)NCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H28N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17-13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m1/s1
InChIKey
RJOJSMIZZYHNQG-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
84.26
TPSA
113.96
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
2
Consensus LogP
2.09
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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