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CAS 361382-26-5 4-[1-(4,5-DIHYDRO-4,4-DIMETHYL-2-OXAZOLYL)-1-METHYLETHYL]-BENZENEETHANOL molecular structure lightbox
CAS RN: 361382-26-5

4-[1-(4,5-DIHYDRO-4,4-DIMETHYL-2-OXAZOLYL)-1-METHYLETHYL]-BENZENEETHANOL

  • Product code: SSC-143269
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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: 0.1g
  • 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 361382-26-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

361382-26-5 / 2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]ethanol

Standard CAS: 361382-26-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
361382-26-5
Multi CAS
No
Molecular Formula
C16H23NO2
Molecular Weight
261.360000
Exact Mass
261.172879
InChI
InChI=1S/C16H23NO2/c1-15(2)11-19-14(17-15)16(3,4)13-7-5-12(6-8-13)9-10-18/h5-8,18H,9-11H2,1-4H3
InChIKey
XJZPZWCCWIEQRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.72
TPSA
41.82

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
2.5
Consensus LogP
2.53
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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