![CAS 330793-09-4 TERT-BUTYL-N-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]CARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330793-09-4.gif)
CAS RN: 330793-09-4
TERT-BUTYL-N-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]CARBAMATE
- Product code: SSC-138937
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: 5g, 10g, 25g
- 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.
330793-09-4 / tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Basic Information
CAS
330793-09-4
Multi CAS
Yes
Molecular Formula
BC17H26NO4
Molecular Weight
319.200000
Exact Mass
319.195489
InChI
InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-10-8-9-12(11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20)
InChIKey
ANQAOGOIWVMGCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
92.01
TPSA
56.79
LogP / Solubility
WLOGP
3.33
MLOGP
2.95
XLogP3
3.33
Consensus LogP
3.2
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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)
-2.3
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
-
-
-
4-(Phenethylcarbamoyl)phenylboronic acid
- CAS RN: 330793-46-9
- Product Code: starshine_CAS330793-46-9
- Purity/Analytical method: >99.0%
-
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]oxazol-2-amine
- CAS RN: 330793-73-2
- Product Code: starshine_CAS330793-73-2
- Purity/Analytical method: >99.0%
-
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]thiazol-2-amine
- CAS RN: 330793-85-6
- Product Code: SSC-138940
-
![CAS 330793-73-2 N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]oxazol-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330793-73-2.gif)
![CAS 330793-85-6 N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]thiazol-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330793-85-6.gif)
