CAS RN: 224824-22-0
(S)-(4-(2-((tert-Butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)phenyl)boronic acid
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.20251006 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-109911
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 |
224824-22-0 / [4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]boronic acid
Basic Information
CAS
224824-22-0
Multi CAS
No
Molecular Formula
C15H22BNO6
Molecular Weight
323.150000
Exact Mass
323.154018
SMILES
B(C1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C15H22BNO6/c1-15(2,3)23-14(19)17-12(13(18)22-4)9-10-5-7-11(8-6-10)16(20)21/h5-8,12,20-21H,9H2,1-4H3,(H,17,19)/t12-/m0/s1
InChIKey
LCSWULUDYAPFHU-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
85.15
TPSA
105.09
LogP / Solubility
WLOGP
-0.02
MLOGP
-0.01
XLogP3
-0.02
Consensus LogP
-0.02
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-4.71
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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