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CAS 105658-49-9 3-METHYL-5-ISOXAZOLEPROPANOL molecular structure lightbox
CAS RN: 105658-49-9

3-METHYL-5-ISOXAZOLEPROPANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-007373
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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: 5g
  • 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 105658-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

105658-49-9 / 3-(3-methyl-1,2-oxazol-5-yl)propan-1-ol

3-(3-methylisoxazol-5-yl)propan-1-ol | 3-(3-methyl-1,2-oxazol-5-yl)propan-1-ol | 3-Methyl-5-isoxazolepropanol

Standard CAS: 105658-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105658-49-9
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
SMILES
CC1=NOC(=C1)CCCO
InChI
InChI=1S/C7H11NO2/c1-6-5-7(10-8-6)3-2-4-9/h5,9H,2-4H2,1H3
InChIKey
WLKCJYLGRDETLU-UHFFFAOYSA-N
Synonyms
3-(3-methylisoxazol-5-yl)propan-1-ol 3-(3-methyl-1,2-oxazol-5-yl)propan-1-ol 3-Methyl-5-isoxazolepropanol MFCD04972527 3-(3-Methyl-5-isoxazolyl)-1-propanol

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.65
TPSA
46.26

LogP / Solubility

WLOGP
0.91
MLOGP
0.79
XLogP3
0.7
Consensus LogP
0.8
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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)
-2.94

Drug-likeness / Medicinal Chemistry

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

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