CAS 131380-85-3 Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-(1-methylethyl)-, (4S,4’S)- molecular structure

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CAS RN: 131380-85-3

Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-(1-methylethyl)-, (4S,4’S)-

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4 package records3 with current stock2 grade groups

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250628	100mg	In stock	Shanghai, Shenzhen, Tianjin, Wuhan	Inquiry
Batchno.20250918	1g	In stock	Shanghai, Tianjin, Wuhan, Chengdu	Inquiry
Batchno.20251014	250mg	In stock	Shanghai, Tianjin, Wuhan	Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260414	100mg / 250mg / 1g	Out of stock		5-7 business days	Inquiry

Product code: starshine_CAS131380-85-3
Purity/Analytical Methods: >99.0%

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131380-85-3 / (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole

Standard CAS: 131380-85-3 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

131380-85-3

Multi CAS

Molecular Formula

C18H24N2O2

Molecular Weight

300.400000

Exact Mass

300.183778

SMILES

CC(C)[C@H]1COC(=N1)C2=CC(=CC=C2)C3=N[C@H](CO3)C(C)C

InChI

InChI=1S/C18H24N2O2/c1-11(2)15-9-21-17(19-15)13-6-5-7-14(8-13)18-20-16(10-22-18)12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3/t15-,16-/m1/s1

InChIKey

ZGKPVKPCZOURSR-HZPDHXFCSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.56

Rotatable bonds

H-bond acceptors

Molar refractivity

88.67

TPSA

43.18

LogP / Solubility

WLOGP

3.29

MLOGP

2.91

XLogP3

3.7

Consensus LogP

3.3

Log S (ESOL)

-3.71

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.4

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.82

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.22

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Yes

Synthetic Accessibility

3.5

Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-(1-methylethyl)-, (4S,4’S)-

Product Availability

131380-85-3 / (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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