CAS RN: 1260247-50-4
Biotin-PEG4-amino-t-Bu-DADPS-C6-azide
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260629 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1260247-50-4
- Purity/Analytical Methods: >99.0%
1260247-50-4 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[2-[6-azidohexoxy(diphenyl)silyl]oxy-2-methylpropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Basic Information
CAS
1260247-50-4
Multi CAS
No
Molecular Formula
C43H67N7O9SSi
Molecular Weight
886.200000
Exact Mass
885.449024
SMILES
CC(C)(CNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)OCCCCCCN=[N+]=[N-]
InChI
InChI=1S/C43H67N7O9SSi/c1-43(2,59-61(35-15-7-5-8-16-35,36-17-9-6-10-18-36)58-24-14-4-3-13-22-47-50-44)34-46-40(52)21-25-54-27-29-56-31-32-57-30-28-55-26-23-45-39(51)20-12-11-19-38-41-37(33-60-38)48-42(53)49-41/h5-10,15-18,37-38,41H,3-4,11-14,19-34H2,1-2H3,(H,45,51)(H,46,52)(H2,48,49,53)/t37-,38-,41-/m0/s1
InChIKey
CSHHHVOFXKFHMG-PCXFPAGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
12
Fraction Csp3
0.65
Rotatable bonds
34
H-bond acceptors
11
H-bond donors
4
Molar refractivity
239.37
TPSA
203.47
LogP / Solubility
WLOGP
4.34
MLOGP
3.9
XLogP3
4.34
Consensus LogP
4.19
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.1
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)
-5.04
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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