CAS RN: 946000-13-1
tert-Butyl (4-broMopyridin-2-yl)(Methyl)carbaMate
- Product code: SSC-209713
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
946000-13-1 / tert-butyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
Basic Information
CAS
946000-13-1
Multi CAS
Yes
Molecular Formula
BC11H15O2Rn2
Molecular Weight
287.150000
Exact Mass
286.031690
InChI
InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14(4)9-7-8(12)5-6-13-9/h5-7H,1-4H3
InChIKey
CGHVUYZFVGMPKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.57
TPSA
42.43
LogP / Solubility
WLOGP
3.22
MLOGP
2.84
XLogP3
2.6
Consensus LogP
2.89
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 946002-48-8
- Product Code: starshine_CAS946002-48-8
- Purity/Analytical method: >99.0%
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![CAS 946002-48-8 3-chloro-4,7-difluoro-N-(2-Methoxy-5-(pyridin-4-yl)benzyl)-N-(4-(MethylaMino)cyclohexyl)benzo[b]thiophene-2-carboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/946002-48-8.gif)
