CAS RN: 1260251-31-7
Birinapant
Product Availability
Choose a grade to view its available package options.
14 package records13 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260513 | 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260301 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260515 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250427 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250819 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260111 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251127 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20250721 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250501 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1260251-31-7
- Purity/Analytical Methods: >99.0%
1260251-31-7 / (2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
Basic Information
CAS
1260251-31-7
Multi CAS
No
Molecular Formula
C42H56F2N8O6
Molecular Weight
806.900000
Exact Mass
806.429088
SMILES
CC[C@@H](C(=O)N1C[C@H](C[C@H]1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)O)NC(=O)[C@H](C)NC
InChI
InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1
InChIKey
PKWRMUKBEYJEIX-DXXQBUJASA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
18
Fraction Csp3
0.52
Rotatable bonds
15
H-bond acceptors
8
H-bond donors
8
Molar refractivity
216.65
TPSA
194.92
LogP / Solubility
WLOGP
2.61
MLOGP
2.37
XLogP3
3.3
Consensus LogP
2.76
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.79
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5
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