CAS 177415-76-8 3,3′-diMethyl-1,1′-diphenyl-1H,1’H-4,4′-bipyrazole-5,5′-diol molecular structure

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CAS RN: 177415-76-8

3,3′-diMethyl-1,1′-diphenyl-1H,1’H-4,4′-bipyrazole-5,5′-diol

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1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20260109	50mg / 100mg	Out of stock	5-7 business days	Inquiry

Product code: SSC-077561

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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 177415-76-8
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shenzhen	Inquiry

177415-76-8 / 5-methyl-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-phenyl-1H-pyrazol-3-one

Standard CAS: 177415-76-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

177415-76-8

Multi CAS

Molecular Formula

C20H18N4O2

Molecular Weight

346.400000

Exact Mass

346.142976

SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C20H18N4O2/c1-13-17(19(25)23(21-13)15-9-5-3-6-10-15)18-14(2)22-24(20(18)26)16-11-7-4-8-12-16/h3-12,21-22H,1-2H3

InChIKey

CIJVXSIRUQCTBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.1

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

101.25

TPSA

75.58

LogP / Solubility

WLOGP

2.93

MLOGP

2.59

XLogP3

3.4

Consensus LogP

2.97

Log S (ESOL)

-4.26

Class (ESOL)

Slightly soluble

Log S (Ali)

-4.51

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.7

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.75

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

3,3′-diMethyl-1,1′-diphenyl-1H,1’H-4,4′-bipyrazole-5,5′-diol

Product Availability

Historical Supply Reference

Reference Pack Sizes

177415-76-8 / 5-methyl-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-phenyl-1H-pyrazol-3-one

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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