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CAS 335592-60-4 4-[2-(Boc-amino)-2-propyl]phenylboronic Acid Pinacol Ester molecular structure lightbox
CAS RN: 335592-60-4

4-[2-(Boc-amino)-2-propyl]phenylboronic Acid Pinacol Ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260426 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-139705
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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, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 335592-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

335592-60-4 / tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]carbamate

Standard CAS: 335592-60-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
335592-60-4
Multi CAS
No
Molecular Formula
BC20H32NO4
Molecular Weight
361.300000
Exact Mass
361.242439
InChI
InChI=1S/C20H32BNO4/c1-17(2,3)24-16(23)22-18(4,5)14-10-12-15(13-11-14)21-25-19(6,7)20(8,9)26-21/h10-13H,1-9H3,(H,22,23)
InChIKey
MMJKUKSXAGYJAZ-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
104.55
TPSA
56.79

LogP / Solubility

WLOGP
3.75
MLOGP
3.32
XLogP3
3.75
Consensus LogP
3.61
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.26

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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