CAS RN: 330794-35-9
4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER
- Product code: SSC-138944
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: 1g, 0.25g, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 4
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 5g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | -- | 0 Out of Stock | Beijing | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
330794-35-9 / tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
Basic Information
CAS
330794-35-9
Multi CAS
Yes
Molecular Formula
BC18H28NO4
Molecular Weight
333.200000
Exact Mass
333.211139
InChI
InChI=1S/C18H28BNO4/c1-16(2,3)22-15(21)20-12-13-8-10-14(11-9-13)19-23-17(4,5)18(6,7)24-19/h8-11H,12H2,1-7H3,(H,20,21)
InChIKey
CUDCEJRRWNIPDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.23
TPSA
56.79
LogP / Solubility
WLOGP
3.01
MLOGP
2.67
XLogP3
3.01
Consensus LogP
2.9
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
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
Customers Also Viewed
-
(S)-tert-butyl 6-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-aminohexanoate hydrochloride
- CAS RN: 330795-57-8
- Product Code: SSC-138945
-
4-(4-METHYL-PIPERAZIN-1-YL)-3-TRIFLUOROMETHYL-PHENYLAMINE
- CAS RN: 330796-48-0
- Product Code: SSC-138946
-
-
N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide
- CAS RN: 330829-30-6
- Product Code: starshine_CAS330829-30-6
- Purity/Analytical method: >99.0%
-
N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide
- CAS RN: 330834-54-3
- Product Code: starshine_CAS330834-54-3
- Purity/Analytical method: >99.0%
-
1-Cyclohexene-1-carboxylicacid,4-(aminomethyl)-(9CI)
- CAS RN: 330838-52-3
- Product Code: starshine_CAS330838-52-3
- Purity/Analytical method: >99.0%
![CAS 330829-30-6 N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330829-30-6.gif)
![CAS 330834-54-3 N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-benzylpropanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330834-54-3.gif)
