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CAS 154701-60-7 (S)-2-(2-BROMOPHENYL)-4-TERT-BUTYL-4,5-DIHYDROOXAZOLE molecular structure lightbox
CAS RN: 154701-60-7

(S)-2-(2-BROMOPHENYL)-4-TERT-BUTYL-4,5-DIHYDROOXAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250813 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-064037
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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: ＞97%
  • 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 154701-60-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

154701-60-7 / (4S)-2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole

Standard CAS: 154701-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154701-60-7
Multi CAS
No
Molecular Formula
C13H16BrNO
Molecular Weight
282.180000
Exact Mass
281.041530
SMILES
CC(C)(C)[C@H]1COC(=N1)C2=CC=CC=C2Br
InChI
InChI=1S/C13H16BrNO/c1-13(2,3)11-8-16-12(15-11)9-6-4-5-7-10(9)14/h4-7,11H,8H2,1-3H3/t11-/m1/s1
InChIKey
NJQJYOLYDOCZGX-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.87
TPSA
21.59

LogP / Solubility

WLOGP
3.64
MLOGP
3.21
XLogP3
3.9
Consensus LogP
3.58
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

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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