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CAS 159503-91-0 tert-butyl 4-broMo-5,6-dihydropyridine-1(2H)-carboxylate molecular structure lightbox
CAS RN: 159503-91-0

tert-butyl 4-broMo-5,6-dihydropyridine-1(2H)-carboxylate

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 100g In stock Shanghai Inquiry
Batchno.20260115 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250406 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260308 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250402 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250617 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai, Guangdong, Chongqing Inquiry
  • Product code: SSC-067475
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 25g, 100g, 500g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 159503-91-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 3 In Stock Beijing Inquiry
25g ≥95% 1 In Stock Shenzhen Inquiry
100g ≥95% 1 In Stock Beijing Inquiry
500g ≥95% 1 In Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

159503-91-0 / tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate

Standard CAS: 159503-91-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
159503-91-0
Multi CAS
No
Molecular Formula
C10H16BrNO2
Molecular Weight
262.140000
Exact Mass
261.036440
SMILES
CC(C)(C)OC(=O)N1CCC(=CC1)Br
InChI
InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h4H,5-7H2,1-3H3
InChIKey
PQILACDFDBWRNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.43
TPSA
29.54

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
2.2
Consensus LogP
2.56
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-2.26

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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