![CAS 929103-36-6 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/929103-36-6.gif)
CAS RN: 929103-36-6
4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]
- Product code: SSC-206838
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
929103-36-6 / 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]-1,3,2-dioxaborolane
Basic Information
CAS
929103-36-6
Multi CAS
No
Molecular Formula
B2C22H30O4
Molecular Weight
380.100000
Exact Mass
380.233020
InChI
InChI=1S/C22H30B2O4/c1-19(2)20(3,4)26-23(25-19)17-13-14-18(16-12-10-9-11-15(16)17)24-27-21(5,6)22(7,8)28-24/h9-14H,1-8H3
InChIKey
ZQPFIGFAGVSNNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
115.38
TPSA
36.92
LogP / Solubility
WLOGP
3.44
MLOGP
3.05
XLogP3
3.44
Consensus LogP
3.31
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6
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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