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CAS 180695-79-8 1-tert-Butoxycarbonyl-4-bromopiperidine molecular structure lightbox
CAS RN: 180695-79-8

1-tert-Butoxycarbonyl-4-bromopiperidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Guangdong, Hebei, Shandong Inquiry
  • Product code: SSC-081757
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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, 10g, 100g, 25g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 180695-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Beijing Inquiry
10g >97% 1 In Stock Shanghai Inquiry
100g >97% 1 In Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

180695-79-8 / tert-butyl 4-bromopiperidine-1-carboxylate

Standard CAS: 180695-79-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
180695-79-8
Multi CAS
No
Molecular Formula
C10H18BrNO2
Molecular Weight
264.160000
Exact Mass
263.052090
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)Br
InChI
InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3
InChIKey
KZBWIYHDNQHMET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.76
TPSA
29.54

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.4
Consensus LogP
2.54
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.36

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (97.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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