![CAS 1313441-88-1 4-[1-(N-BOC-AMino)cyclopropyl]phenylboronic acid, pinacol ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1313441-88-1.gif)
CAS RN: 1313441-88-1
4-[1-(N-BOC-AMino)cyclopropyl]phenylboronic acid, pinacol ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251008 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-038152
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 | Beijing | Inquiry |
1313441-88-1 / tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]carbamate
Basic Information
CAS
1313441-88-1
Multi CAS
No
Molecular Formula
C20H30BNO4
Molecular Weight
359.300000
Exact Mass
359.226789
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C20H30BNO4/c1-17(2,3)24-16(23)22-20(12-13-20)14-8-10-15(11-9-14)21-25-18(4,5)19(6,7)26-21/h8-11H,12-13H2,1-7H3,(H,22,23)
InChIKey
PACZWTPIBAWVLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
102.44
TPSA
56.79
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
3.5
Consensus LogP
3.37
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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
Yes
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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