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CAS 156329-70-3 3-bromobicyclo[1.1.1]pentane-1-carboxylic acid molecular structure lightbox
CAS RN: 156329-70-3

3-bromobicyclo[1.1.1]pentane-1-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251111 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-065336
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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: >96%
  • 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 156329-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >96% 1 In Stock Hong Kong Inquiry
0.25g >96% 1 In Stock Shenzhen Inquiry
1g >96% 1 In Stock Shanghai Inquiry
5g >96% 1 In Stock Shenzhen Inquiry

156329-70-3 / 3-bromobicyclo[1.1.1]pentane-1-carboxylic acid

Standard CAS: 156329-70-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
156329-70-3
Multi CAS
No
Molecular Formula
C6H7BrO2
Molecular Weight
191.020000
Exact Mass
189.962940
SMILES
C1C2(CC1(C2)Br)C(=O)O
InChI
InChI=1S/C6H7BrO2/c7-6-1-5(2-6,3-6)4(8)9/h1-3H2,(H,8,9)
InChIKey
VWLOBPGTTZYAPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.58
TPSA
37.3

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
0.8
Consensus LogP
1.14
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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