CAS 328028-16-6 3-AMINO-N-(2-METHOXY-PHENYL)-4-MORPHOLIN-4-YL-BENZENESULFONAMIDE molecular structure

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CAS RN: 328028-16-6

3-AMINO-N-(2-METHOXY-PHENYL)-4-MORPHOLIN-4-YL-BENZENESULFONAMIDE

Product code: SSC-138515

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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 328028-16-6
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shanghai	Inquiry

328028-16-6 / 3-amino-N-(2-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide

Standard CAS: 328028-16-6 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

328028-16-6

Multi CAS

Molecular Formula

C17H21N3O4S

Molecular Weight

363.400000

Exact Mass

363.125277

InChI

InChI=1S/C17H21N3O4S/c1-23-17-5-3-2-4-15(17)19-25(21,22)13-6-7-16(14(18)12-13)20-8-10-24-11-9-20/h2-7,12,19H,8-11,18H2,1H3

InChIKey

FQWXIXZWDRXNDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.29

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

97.69

TPSA

93.89

LogP / Solubility

WLOGP

1.91

MLOGP

1.7

XLogP3

1.3

Consensus LogP

1.64

Log S (ESOL)

-3.32

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.92

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-4.21

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.58

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2.5

3-AMINO-N-(2-METHOXY-PHENYL)-4-MORPHOLIN-4-YL-BENZENESULFONAMIDE

Historical Supply Reference

Reference Pack Sizes

328028-16-6 / 3-amino-N-(2-methoxyphenyl)-4-morpholin-4-ylbenzenesulfonamide

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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