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CAS 305794-65-4 TERT-BUTYL 4-(DIBROMOMETHYLENE)PIPERIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 305794-65-4

TERT-BUTYL 4-(DIBROMOMETHYLENE)PIPERIDINE-1-CARBOXYLATE

  • Product code: SSC-135278
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • 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 305794-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Hong Kong Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
0.25g -- 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Hong Kong Inquiry

305794-65-4 / tert-butyl 4-(dibromomethylidene)piperidine-1-carboxylate

Standard CAS: 305794-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
305794-65-4
Multi CAS
No
Molecular Formula
C11H17BR2NO2
Molecular Weight
355.070000
Exact Mass
354.960550
InChI
InChI=1S/C11H17Br2NO2/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)9(12)13/h4-7H2,1-3H3
InChIKey
ONBATUJIBQTLGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
71.92
TPSA
29.54

LogP / Solubility

WLOGP
4.02
MLOGP
3.56
XLogP3
3.1
Consensus LogP
3.56
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
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
Yes
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

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

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