CAS RN: 331958-92-0
2-(3-Buten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (stabilized with Phenothiazine)
- Product code: SSC-139143
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: 0.25g, 1g, 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.
331958-92-0 / 4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
Basic Information
CAS
331958-92-0
Multi CAS
Yes
Molecular Formula
BC10H19O2
Molecular Weight
182.070000
Exact Mass
182.147810
InChI
InChI=1S/C10H19BO2/c1-8(2)7-11-12-9(3,4)10(5,6)13-11/h7H,1-6H3
InChIKey
LWXHOCHDERDUID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.51
TPSA
18.46
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.58
Consensus LogP
2.48
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1533406-38-0 9-([1,1′-Biphenyl]-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5054-jpgcontextbwfzdgvyfhjvb3r8nda0odr8aw1hz2uvanblz3xom2evagy4lzg5mjkxntazmdqyodyvqjuwntquanbnfgrmmdiznzczywrkyjqwzmmzmzrizwm0ntzhmja5mdfmzgjjzdzmzti3m2iwztrintrlnwe0yte3mtflntayn2i.jpeg)
