CAS 22979-35-7 a-Diazo-benzeneacetic acid Methyl ester molecular structure

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CAS RN: 22979-35-7

a-Diazo-benzeneacetic acid Methyl ester

Product Availability

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1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20251009	1g	Out of stock	15 business days	Inquiry

Product code: SSC-111675

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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: ≥95%
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 22979-35-7
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Hong Kong	Inquiry

22979-35-7 / methyl 2-diazo-2-phenylacetate

Standard CAS: 22979-35-7 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

22979-35-7

Multi CAS

Molecular Formula

C9H8N2O2

Molecular Weight

176.170000

Exact Mass

176.058578

SMILES

COC(=O)C(=[N+]=[N-])C1=CC=CC=C1

InChI

InChI=1S/C9H8N2O2/c1-13-9(12)8(11-10)7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

HYAAEBUKCXOFDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.11

Rotatable bonds

H-bond acceptors

Molar refractivity

46.19

TPSA

62.7

LogP / Solubility

WLOGP

0.88

MLOGP

0.77

XLogP3

Consensus LogP

1.22

Log S (ESOL)

-1.7

Class (ESOL)

Soluble

Log S (Ali)

-1.64

Class (Ali)

Soluble

Log S (SILICOS-IT)

-1.77

Class (SILICOS-IT)

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)

-3.17

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

PAINS alerts

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

a-Diazo-benzeneacetic acid Methyl ester

Product Availability

Historical Supply Reference

Reference Pack Sizes

22979-35-7 / methyl 2-diazo-2-phenylacetate

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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