CAS 74733-26-9 Methyl 3-chloro-4-forMylbenzoate molecular structure

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CAS RN: 74733-26-9

Methyl 3-chloro-4-forMylbenzoate

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.20260604	250mg / 1g / 5g	Out of stock	8-10 business days	Inquiry

Product code: SSC-184193

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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 74733-26-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	＞97%	0 Out of Stock	Beijing	Inquiry

74733-26-9 / methyl 3-chloro-4-formylbenzoate

Standard CAS: 74733-26-9 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

74733-26-9

Multi CAS

Yes

Molecular Formula

C9H7CLO3

Molecular Weight

198.600000

Exact Mass

198.008372

InChI

InChI=1S/C9H7ClO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-5H,1H3

InChIKey

HTBWDEJOUJMERN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.11

Rotatable bonds

H-bond acceptors

Molar refractivity

48.18

TPSA

43.37

LogP / Solubility

WLOGP

1.94

MLOGP

1.71

XLogP3

1.9

Consensus LogP

1.85

Log S (ESOL)

-2.5

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.59

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.8

Class (SILICOS-IT)

Moderately 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)

-2.55

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Methyl 3-chloro-4-forMylbenzoate

Product Availability

Historical Supply Reference

Reference Pack Sizes

74733-26-9 / methyl 3-chloro-4-formylbenzoate

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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