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CAS 1824320-42-4 TERT-BUTYL (6-BROMO-3-METHYLPYRIDIN-2-YL)CARBAMATE molecular structure lightbox
CAS RN: 1824320-42-4

TERT-BUTYL (6-BROMO-3-METHYLPYRIDIN-2-YL)CARBAMATE

  • Product code: SSC-084344
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1824320-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1824320-42-4 / tert-butyl N-(6-bromo-3-methyl-2-pyridinyl)carbamate

Standard CAS: 1824320-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1824320-42-4
Multi CAS
No
Molecular Formula
C11H15BrN2O2
Molecular Weight
287.150000
Exact Mass
286.031690
SMILES
CC1=C(N=C(C=C1)Br)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H15BrN2O2/c1-7-5-6-8(12)13-9(7)14-10(15)16-11(2,3)4/h5-6H,1-4H3,(H,13,14,15)
InChIKey
NAHSTGUCAZKFSB-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
H-bond donors
1
Molar refractivity
66.53
TPSA
51.22

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.1
Consensus LogP
3.23
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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