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CAS 131380-91-1 2-((S)-4,5-Dihydro-4-isopropyloxazol-2-yl)phenol ,>95%(ee>95%) molecular structure lightbox
CAS RN: 131380-91-1

2-((S)-4,5-Dihydro-4-isopropyloxazol-2-yl)phenol ,>95%(ee>95%)

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260622 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251008 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-038223
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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 131380-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

131380-91-1 / 2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenol

Standard CAS: 131380-91-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131380-91-1
Multi CAS
No
Molecular Formula
C12H15NO2
Molecular Weight
205.250000
Exact Mass
205.110279
SMILES
CC(C)[C@H]1COC(=N1)C2=CC=CC=C2O
InChI
InChI=1S/C12H15NO2/c1-8(2)10-7-15-12(13-10)9-5-3-4-6-11(9)14/h3-6,8,10,14H,7H2,1-2H3/t10-/m1/s1
InChIKey
NHCHOCDSGYNNIS-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.22
TPSA
41.82

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.5
Consensus LogP
2.21
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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