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CAS 1083-57-4 3-Hydroxy-p-butyrophenetidine molecular structure lightbox
CAS RN: 1083-57-4

3-Hydroxy-p-butyrophenetidine

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250613 25g In stock Inquiry
Batchno.20260120 5g In stock Inquiry
  • Product code: SSC-009636
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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: 25g
  • 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 1083-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

1083-57-4 / N-(4-ethoxyphenyl)-3-hydroxybutanamide

Bucetin | Betadid | N-(4-Ethoxyphenyl)-3-hydroxybutanamide

Standard CAS: 1083-57-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1083-57-4
Multi CAS
Yes
Molecular Formula
C12H17NO3
Molecular Weight
223.270000
Exact Mass
223.120843
SMILES
CCOC1=CC=C(C=C1)NC(=O)CC(C)O
InChI
InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)
InChIKey
LIAWQASKBFCRNR-UHFFFAOYSA-N
Synonyms
Bucetin Betadid N-(4-Ethoxyphenyl)-3-hydroxybutanamide 3-Hydroxy-p-butyrophenetidide Bucetine

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.54
TPSA
58.56

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.72
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H350 (100%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P261, P271, P280, P302+P352, P304+P340, P317, P318, P321, P362+P364, P405, and P501

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