CAS RN: 329685-40-7
3-Phenyl-1-propylboronic acid pinacol ester
- Product code: SSC-138760
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 0.25g
- Available purity: ≥97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
329685-40-7 / 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane
Basic Information
CAS
329685-40-7
Multi CAS
No
Molecular Formula
BC15H23O2
Molecular Weight
246.150000
Exact Mass
246.179110
InChI
InChI=1S/C15H23BO2/c1-14(2)15(3,4)18-16(17-14)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3
InChIKey
HRZOKAQQKKQUME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
75.65
TPSA
18.46
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
3.71
Consensus LogP
3.56
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
MONASTROL
- CAS RN: 329689-23-8
- Product Code: starshine_CAS329689-23-8
- Purity/Analytical method: >99.0%
-
1,3-Benzodioxolane-5-carboxylicacid4′-benzyloxy-3′-methoxybenzylidenehydrazide
- CAS RN: 329691-12-5
- Product Code: starshine_CAS329691-12-5
- Purity/Analytical method: >99.0%
-
2H,6H-Benzo[1,2-b:5,4-b’]dipyran-6-one, 8-(3,4-dihydroxyphenyl)-7,8-dihydro-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-buten-1-yl)-, (8S)-
- CAS RN: 329703-46-0
- Product Code: starshine_CAS329703-46-0
- Purity/Analytical method: >99.0%
-
2-(trifluoromethoxy)ethyl trifluoromethanesulfonate
- CAS RN: 329710-76-1
- Product Code: SSC-138766
-
(S)-(-)-5,5′,6,6′-TETRAMETHYL-3,3′-DI-TERT-BUTYL-1,1′-BIPHENYL-2,2′-DIOL
- CAS RN: 329735-68-4
- Product Code: SSC-138767
-
N-BUTYLCYCLOPENTADIENYLZIRCONIUM TRICHLORIDE
- CAS RN: 329735-75-3
- Product Code: starshine_CAS329735-75-3
- Purity/Analytical method: >99.0%
![CAS 329703-46-0 2H,6H-Benzo[1,2-b:5,4-b’]dipyran-6-one, 8-(3,4-dihydroxyphenyl)-7,8-dihydro-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-buten-1-yl)-, (8S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/329703-46-0.gif)
