CAS 819050-88-9 α,α,α’,α’-Tetramethyl-1,3-benzenedipropionic Acid molecular structure

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CAS RN: 819050-88-9

α,α,α’,α’-Tetramethyl-1,3-benzenedipropionic Acid

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250217	250mg / 1g / 5g	Confirm by inquiry	Shanghai, Shandong	Inquiry

Product code: SSC-190181

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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: ＞97%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry

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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 819050-88-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	＞97%	0 Out of Stock	Shenzhen	Inquiry

819050-88-9 / 3-[3-(2-carboxy-2-methylpropyl)phenyl]-2,2-dimethylpropanoic acid

Standard CAS: 819050-88-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

819050-88-9

Multi CAS

Molecular Formula

C16H22O4

Molecular Weight

278.340000

Exact Mass

278.151809

InChI

InChI=1S/C16H22O4/c1-15(2,13(17)18)9-11-6-5-7-12(8-11)10-16(3,4)14(19)20/h5-8H,9-10H2,1-4H3,(H,17,18)(H,19,20)

InChIKey

BZWQVGTVYGEXTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.5

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

76.68

TPSA

74.6

LogP / Solubility

WLOGP

2.99

MLOGP

2.64

XLogP3

3.3

Consensus LogP

2.98

Log S (ESOL)

-3.28

Class (ESOL)

Poorly soluble

Log S (Ali)

-4

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.67

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.29

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

1.5

α,α,α’,α’-Tetramethyl-1,3-benzenedipropionic Acid

Product Availability

Historical Supply Reference

Reference Pack Sizes

819050-88-9 / 3-[3-(2-carboxy-2-methylpropyl)phenyl]-2,2-dimethylpropanoic acid

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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