CAS 164220-45-5 3-Chloro-3′-methoxystilbene molecular structure

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CAS RN: 164220-45-5

3-Chloro-3′-methoxystilbene

Product Availability

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260110	200mg	In stock	Shanghai	Inquiry

Product code: SSC-071670

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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 164220-45-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥97%	0 Out of Stock	Beijing	Inquiry

164220-45-5 / 1-chloro-3-[(E)-2-(3-methoxyphenyl)ethenyl]benzene

Standard CAS: 164220-45-5 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

164220-45-5

Multi CAS

Molecular Formula

C15H13ClO

Molecular Weight

244.710000

Exact Mass

244.065493

SMILES

COC1=CC=CC(=C1)/C=C/C2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H13ClO/c1-17-15-7-3-5-13(11-15)9-8-12-4-2-6-14(16)10-12/h2-11H,1H3/b9-8+

InChIKey

DXHFJXLLHMOLGG-CMDGGOBGSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.07

Rotatable bonds

H-bond acceptors

Molar refractivity

73.37

TPSA

9.23

LogP / Solubility

WLOGP

4.52

MLOGP

3.98

XLogP3

4.8

Consensus LogP

4.43

Log S (ESOL)

-4.53

Class (ESOL)

Slightly soluble

Log S (Ali)

-4.83

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.36

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-1

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-Chloro-3′-methoxystilbene

Product Availability

Historical Supply Reference

Reference Pack Sizes

164220-45-5 / 1-chloro-3-[(E)-2-(3-methoxyphenyl)ethenyl]benzene

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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