CAS RN: 1313034-29-5
3-oxo-8-tbutylcarbonyldicyclo-2-decane-7-boronic 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.20250510 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-038101
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
- Available purity: >97%
- Inventory rows with stock: 3
- 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.
1313034-29-5 / tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene-9-carboxylate
Basic Information
CAS
1313034-29-5
Multi CAS
No
Molecular Formula
C18H30BNO5
Molecular Weight
351.200000
Exact Mass
351.221703
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3COCC(C2)N3C(=O)OC(C)(C)C
InChI
InChI=1S/C18H30BNO5/c1-16(2,3)23-15(21)20-13-8-12(9-14(20)11-22-10-13)19-24-17(4,5)18(6,7)25-19/h8,13-14H,9-11H2,1-7H3
InChIKey
CVULVIWSNJBKAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
95.25
TPSA
57.23
LogP / Solubility
WLOGP
2.95
MLOGP
2.62
XLogP3
2.95
Consensus LogP
2.84
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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