![CAS 2364334-02-9 2-[5-(Benzyloxy)pentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2364334-02-9.gif)
CAS RN: 2364334-02-9
2-[5-(Benzyloxy)pentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Product code: SSC-115071
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 | Shanghai | Inquiry |
2364334-02-9 / 4,4,5,5-tetramethyl-2-(5-phenylmethoxypentyl)-1,3,2-dioxaborolane
Basic Information
CAS
2364334-02-9
Multi CAS
No
Molecular Formula
C18H29BO3
Molecular Weight
304.200000
Exact Mass
304.220975
SMILES
B1(OC(C(O1)(C)C)(C)C)CCCCCOCC2=CC=CC=C2
InChI
InChI=1S/C18H29BO3/c1-17(2)18(3,4)22-19(21-17)13-9-6-10-14-20-15-16-11-7-5-8-12-16/h5,7-8,11-12H,6,9-10,13-15H2,1-4H3
InChIKey
DEGHOCUWGDSAIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
90.84
TPSA
27.69
LogP / Solubility
WLOGP
4.47
MLOGP
3.94
XLogP3
4.47
Consensus LogP
4.29
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41
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
2.5
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