CAS 80407-68-7 3,4-Bis(2-methoxyethoxy)benzonitrile molecular structure

lightbox

CAS RN: 80407-68-7

3,4-Bis(2-methoxyethoxy)benzonitrile

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250620	1g / 5g / 25g	Out of stock	5-7 business days	Inquiry

Product code: SSC-189269

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: 5g
Available purity: ＞97%
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 80407-68-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	＞97%	0 Out of Stock	Hong Kong	Inquiry

80407-68-7 / 3,4-bis(2-methoxyethoxy)benzonitrile

Standard CAS: 80407-68-7 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

80407-68-7

Multi CAS

Yes

Molecular Formula

C13H17NO4

Molecular Weight

251.280000

Exact Mass

251.115758

InChI

InChI=1S/C13H17NO4/c1-15-5-7-17-12-4-3-11(10-14)9-13(12)18-8-6-16-2/h3-4,9H,5-8H2,1-2H3

InChIKey

KTOCATSUCSJPCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.46

Rotatable bonds

H-bond acceptors

Molar refractivity

65.9

TPSA

60.71

LogP / Solubility

WLOGP

1.61

MLOGP

1.42

XLogP3

1.5

Consensus LogP

1.51

Log S (ESOL)

-2.13

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.78

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-3.59

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.11

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

3,4-Bis(2-methoxyethoxy)benzonitrile

Product Availability

Historical Supply Reference

Reference Pack Sizes

80407-68-7 / 3,4-bis(2-methoxyethoxy)benzonitrile

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

Customers Also Viewed

3-METHOXY-4-NITROBENZALDEHYDE

13-O-p-Coumaroylplumieride

2(3H)-Benzothiazolone,7-chloro-(9CI)

(R)-1-(4-bromophenyl)-2,2,2-trifluoroethanol

(S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol

4-(pyridin-4-yl)benzene-1,2-diamine

Get In Touch