CAS 64691-33-4 2-[2-(Diphenylphosphino)phenyl]-4,5-dihydro-4,4-dimethyloxazole molecular structure

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CAS RN: 64691-33-4

2-[2-(Diphenylphosphino)phenyl]-4,5-dihydro-4,4-dimethyloxazole

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5 package records4 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250113	100mg	In stock	Shanghai		Inquiry
Batchno.20260402	100mg / 250mg / 1g / 5g	Out of stock		8-10 business days	Inquiry
Batchno.20260527	1g	In stock	Shanghai, Tianjin		Inquiry
Batchno.20250907	250mg	In stock	Shanghai, Shenzhen, Tianjin		Inquiry
Batchno.20260121	5g	In stock	Shanghai		Inquiry

Product code: starshine_CAS64691-33-4
Purity/Analytical Methods: >99.0%

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64691-33-4 / [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-diphenylphosphane

Standard CAS: 64691-33-4 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

64691-33-4

Multi CAS

Molecular Formula

C23H22NOP

Molecular Weight

359.400000

Exact Mass

359.143901

InChI

InChI=1S/C23H22NOP/c1-23(2)17-25-22(24-23)20-15-9-10-16-21(20)26(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,17H2,1-2H3

InChIKey

HRMFZCLQIYDDQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.17

Rotatable bonds

H-bond acceptors

Molar refractivity

111.72

TPSA

21.59

LogP / Solubility

WLOGP

MLOGP

3.54

XLogP3

4.7

Consensus LogP

4.08

Log S (ESOL)

-4.84

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.4

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.8

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-2.07

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2-[2-(Diphenylphosphino)phenyl]-4,5-dihydro-4,4-dimethyloxazole

Product Availability

64691-33-4 / [2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-diphenylphosphane

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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