CAS RN: 1416371-19-1
9-Phenanthreneboronic acid neopentylglycol 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.20260517 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-052069
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1416371-19-1 / 5,5-dimethyl-2-phenanthren-9-yl-1,3,2-dioxaborinane
Basic Information
CAS
1416371-19-1
Multi CAS
No
Molecular Formula
C19H19BO2
Molecular Weight
290.200000
Exact Mass
290.147810
SMILES
B1(OCC(CO1)(C)C)C2=CC3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C19H19BO2/c1-19(2)12-21-20(22-13-19)18-11-14-7-3-4-8-15(14)16-9-5-6-10-17(16)18/h3-11H,12-13H2,1-2H3
InChIKey
WZXSJDKNWAQBOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
14
Fraction Csp3
0.26
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
92.53
TPSA
18.46
LogP / Solubility
WLOGP
3.76
MLOGP
3.32
XLogP3
3.76
Consensus LogP
3.61
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82
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
3
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