CAS RN: 651744-43-3
Boc-MB103-TIS
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260201 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS651744-43-3
- Purity/Analytical Methods: >99.0%
651744-43-3 / tert-butyl N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]carbamate
Basic Information
CAS
651744-43-3
Multi CAS
No
Molecular Formula
C21H35N3O2Si
Molecular Weight
389.600000
Exact Mass
389.249854
InChI
InChI=1S/C21H35N3O2Si/c1-14(2)27(15(3)4,16(5)6)24-11-10-17-12-18(13-22-19(17)24)23-20(25)26-21(7,8)9/h10-16H,1-9H3,(H,23,25)
InChIKey
BQMBVTAXFFTLRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
116.04
TPSA
56.15
LogP / Solubility
WLOGP
6.41
MLOGP
5.66
XLogP3
6.41
Consensus LogP
6.16
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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