![CAS 156329-73-6 3-CHLOROBICYCLO[1.1.1]PENTANE-1-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/156329-73-6.gif)
CAS RN: 156329-73-6
3-CHLOROBICYCLO[1.1.1]PENTANE-1-CARBOXYLIC ACID
- Product code: SSC-065338
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, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 5 In Stock | Shanghai | Inquiry |
156329-73-6 / 3-chlorobicyclo[1.1.1]pentane-1-carboxylic acid
Basic Information
CAS
156329-73-6
Multi CAS
No
Molecular Formula
C6H7ClO2
Molecular Weight
146.570000
Exact Mass
146.013457
SMILES
C1C2(CC1(C2)Cl)C(=O)O
InChI
InChI=1S/C6H7ClO2/c7-6-1-5(2-6,3-6)4(8)9/h1-3H2,(H,8,9)
InChIKey
QEYKZNBKTNESNT-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
32.5
TPSA
37.3
LogP / Solubility
WLOGP
1.23
MLOGP
1.08
XLogP3
0.7
Consensus LogP
1
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-2.74
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
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