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CAS 2225806-07-3 N,N-Bis(4-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine molecular structure lightbox
CAS RN: 2225806-07-3

N,N-Bis(4-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine

  • Product code: SSC-107255
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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: >97%
  • 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 2225806-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Shanghai Inquiry

2225806-07-3 / N,N-bis(4-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine

Standard CAS: 2225806-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2225806-07-3
Multi CAS
No
Molecular Formula
C30H32BNO4
Molecular Weight
481.400000
Exact Mass
481.242439
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=C(C=C3)N(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C30H32BNO4/c1-29(2)30(3,4)36-31(35-29)23-9-7-22-20-26(10-8-21(22)19-23)32(24-11-15-27(33-5)16-12-24)25-13-17-28(34-6)18-14-25/h7-20H,1-6H3
InChIKey
YDNWBWGOHZRBKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
22
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
147.45
TPSA
40.16

LogP / Solubility

WLOGP
6.63
MLOGP
5.86
XLogP3
6.63
Consensus LogP
6.37
Log S (ESOL)
-7.06
Class (ESOL)
Insoluble
Log S (Ali)
-8.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.01
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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