![CAS 1190376-20-5 4,4,5,5-Tetramethyl-2-(4-phenylethynyl)[1,3,2]dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190376-20-5.gif)
CAS RN: 1190376-20-5
4,4,5,5-Tetramethyl-2-(4-phenylethynyl)[1,3,2]dioxaborolane
- Product code: SSC-019479
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
1190376-20-5 / 4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
4,4,5,5-Tetramethyl-2-(4-phenylethynyl-phenyl)-[1,3,2]dioxaborolane | 4,4,5,5-Tetramethyl-2-(4-phenylethynyl-phenyl)-(1,3,2)dioxaborolane | RefChem:507148
Basic Information
CAS
1190376-20-5
Multi CAS
No
Molecular Formula
C20H21BO2
Molecular Weight
304.200000
Exact Mass
304.163460
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#CC3=CC=CC=C3
InChI
InChI=1S/C20H21BO2/c1-19(2)20(3,4)23-21(22-19)18-14-12-17(13-15-18)11-10-16-8-6-5-7-9-16/h5-9,12-15H,1-4H3
InChIKey
AAIDERXZGJSORP-UHFFFAOYSA-N
Synonyms
4,4,5,5-Tetramethyl-2-(4-phenylethynyl-phenyl)-[1,3,2]dioxaborolane
4,4,5,5-Tetramethyl-2-(4-phenylethynyl-phenyl)-(1,3,2)dioxaborolane
RefChem:507148
806-580-9
4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
94.58
TPSA
18.46
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
3.39
Consensus LogP
3.26
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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
No
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Customers Also Viewed
-
![CAS 1190378-57-4 N-[3-[[5-Cyclopropyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]propyl]cyclobutanecarboxamide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N-[3-[[5-Cyclopropyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]propyl]cyclobutanecarboxamide
- CAS RN: 1190378-57-4
- Product Code: SSC-019480
-
-
-
-
1-Tetrahydro-2H-pyran-4-yl-1H-pyrazol-4-amine
- CAS RN: 1190380-49-4
- Product Code: SSC-019484
-
5-Amino-1-methyl-1H-pyrazolo[3,4-b]pyridine
- CAS RN: 1190380-60-9
- Product Code: SSC-019485
![CAS 1190378-57-4 N-[3-[[5-Cyclopropyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]propyl]cyclobutanecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190378-57-4.gif)
![CAS 1190380-60-9 5-Amino-1-methyl-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190380-60-9.gif)