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CAS 878197-87-6 4-((N,N-DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDE molecular structure lightbox
CAS RN: 878197-87-6

4-((N,N-DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDE

  • Product code: SSC-198137
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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: 1g, 0.25g, 0.1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 878197-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

878197-87-6 / N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine

Standard CAS: 878197-87-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
878197-87-6
Multi CAS
Yes
Molecular Formula
BC15H24NO2
Molecular Weight
261.170000
Exact Mass
261.190009
InChI
InChI=1S/C15H24BNO2/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)11-17(5)6/h7-10H,11H2,1-6H3
InChIKey
SATLWVSJANHADH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
79.55
TPSA
21.7

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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