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CAS 1820683-84-8 tert-butyl 5-broMo-2-chloropyridin-4-ylcarbaMate molecular structure lightbox
CAS RN: 1820683-84-8

tert-butyl 5-broMo-2-chloropyridin-4-ylcarbaMate

  • Product code: SSC-082881
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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: 0.25g
  • Available purity: ＞97%
  • 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 1820683-84-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

1820683-84-8 / tert-butyl N-(5-bromo-2-chloro-4-pyridinyl)carbamate

Standard CAS: 1820683-84-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820683-84-8
Multi CAS
No
Molecular Formula
C10H12BrClN2O2
Molecular Weight
307.570000
Exact Mass
305.977070
SMILES
CC(C)(C)OC(=O)NC1=CC(=NC=C1Br)Cl
InChI
InChI=1S/C10H12BrClN2O2/c1-10(2,3)16-9(15)14-7-4-8(12)13-5-6(7)11/h4-5H,1-3H3,(H,13,14,15)
InChIKey
QWEJGRRWQCPDSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.8
TPSA
51.22

LogP / Solubility

WLOGP
3.84
MLOGP
3.4
XLogP3
3.1
Consensus LogP
3.45
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

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

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