CAS RN: 205393-21-1
Bortezomib intermediates II
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250226 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251217 | 10g | Out of stock | Inquiry | |
| Batchno.20250125 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250112 | 250mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250412 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20260304 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS205393-21-1
- Purity/Analytical Methods: >99.0%
205393-21-1 / (2S)-2-amino-N-[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]-3-phenylpropanamide;hydrochloride
Basic Information
CAS
205393-21-1
Multi CAS
No
Molecular Formula
C24H38BClN2O3
Molecular Weight
448.800000
Exact Mass
448.266401
SMILES
B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)N.Cl
InChI
InChI=1S/C24H37BN2O3.ClH/c1-15(2)11-21(27-22(28)18(26)12-16-9-7-6-8-10-16)25-29-20-14-17-13-19(23(17,3)4)24(20,5)30-25;/h6-10,15,17-21H,11-14,26H2,1-5H3,(H,27,28);1H/t17-,18-,19-,20+,21-,24-;/m0./s1
InChIKey
BYRWVECJDRGBAH-UMPWXGAWSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
126.87
TPSA
73.58
LogP / Solubility
WLOGP
3.78
MLOGP
3.35
XLogP3
3.78
Consensus LogP
3.64
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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