CAS 873208-67-4 PYRROLIDIN-2-IMINE HYDROCHLORIDE molecular structure

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CAS RN: 873208-67-4

PYRROLIDIN-2-IMINE HYDROCHLORIDE

Product code: SSC-197137

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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: 0.25g
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 873208-67-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.25g	≥95%	0 Out of Stock	Hong Kong	Inquiry

873208-67-4 / 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid

Standard CAS: 873208-67-4 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

873208-67-4

Multi CAS

Molecular Formula

C16H12N2O3

Molecular Weight

280.280000

Exact Mass

280.084792

InChI

InChI=1S/C16H12N2O3/c1-10-2-4-11(5-3-10)14-17-18-15(21-14)12-6-8-13(9-7-12)16(19)20/h2-9H,1H3,(H,19,20)

InChIKey

JUTSCTAOCYBXKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.06

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

76.87

TPSA

76.22

LogP / Solubility

WLOGP

3.41

MLOGP

3.01

XLogP3

Consensus LogP

3.14

Log S (ESOL)

-4.13

Class (ESOL)

Slightly soluble

Log S (Ali)

-4.32

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

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.01

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

2.5

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PYRROLIDIN-2-IMINE HYDROCHLORIDE

Historical Supply Reference

Reference Pack Sizes

873208-67-4 / 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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