![CAS 2410440-12-7 Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2410440-12-7.gif)
CAS RN: 2410440-12-7
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250403 | 50mg / 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-117467
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: 0.05g, 0.1g, 0.25g, 1g, 5g, 10g
- 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 |
|---|---|---|---|---|
| 0.05g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
| 10g | >95% | 1 In Stock | Beijing | Inquiry |
2410440-12-7 / methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[1.1.1]pentane-1-carboxylate
Basic Information
CAS
2410440-12-7
Multi CAS
No
Molecular Formula
C13H21BO4
Molecular Weight
252.120000
Exact Mass
252.153289
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C(=O)OC
InChI
InChI=1S/C13H21BO4/c1-10(2)11(3,4)18-14(17-10)13-6-12(7-13,8-13)9(15)16-5/h6-8H2,1-5H3
InChIKey
XJAGROMBOSCPII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.08
TPSA
44.76
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.18
Consensus LogP
2.09
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
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
4
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