CAS 50635-26-2 [4-(benzyloxy)phenoxy]acetonitrile molecular structure

lightbox

CAS RN: 50635-26-2

[4-(benzyloxy)phenoxy]acetonitrile

Product code: SSC-157250

GET A QUOTE

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: ≥95%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry

Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 50635-26-2
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shanghai	Inquiry

50635-26-2 / 2-(4-phenylmethoxyphenoxy)acetonitrile

Standard CAS: 50635-26-2 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

50635-26-2

Multi CAS

Molecular Formula

C15H13NO2

Molecular Weight

239.270000

Exact Mass

239.094629

InChI

InChI=1S/C15H13NO2/c16-10-11-17-14-6-8-15(9-7-14)18-12-13-4-2-1-3-5-13/h1-9H,11-12H2

InChIKey

VRFUWGXTKRQBGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.13

Rotatable bonds

H-bond acceptors

Molar refractivity

68.32

TPSA

42.25

LogP / Solubility

WLOGP

3.17

MLOGP

2.79

XLogP3

3.5

Consensus LogP

3.15

Log S (ESOL)

-3.48

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.81

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-4.44

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-1.93

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

[4-(benzyloxy)phenoxy]acetonitrile

Historical Supply Reference

Reference Pack Sizes

50635-26-2 / 2-(4-phenylmethoxyphenoxy)acetonitrile

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

Customers Also Viewed

6(4-BROMOPHENYL)-3(2H)PYRIDAZINONE

2,8-dibromochrysene

5-BROMO-NAPHTHALENE-1-SULFONYL CHLORIDE

5-BROMO-3-METHYL-BENZOFURAN-2-CARBOXYLIC ACID

4-Bromo-3-chloroanisole

4-BROMO-2-CHLOROANISOLE

Get In Touch