CAS RN: 847499-27-8
CEP-18770
Product Availability
Choose a grade to view its available package options.
15 package records14 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250122 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250501 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250512 | 10mg | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20260328 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250716 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250508 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250704 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250903 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260228 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260205 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS847499-27-8
- Purity/Analytical Methods: >99.0%
847499-27-8 / [(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid
Basic Information
CAS
847499-27-8
Multi CAS
Yes
Molecular Formula
BC21H28N3O5
Molecular Weight
413.300000
Exact Mass
413.212201
InChI
InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
InChIKey
SJFBTAPEPRWNKH-CCKFTAQKSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
5
Molar refractivity
114.19
TPSA
131.78
LogP / Solubility
WLOGP
0.77
MLOGP
0.7
XLogP3
0.77
Consensus LogP
0.75
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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- Product Code: starshine_CAS847499-73-4
- Purity/Analytical method: >99.0%
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