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CAS 19314-10-4 3-CHLORO-N-(4-HYDROXYPHENYL)PROPIONAMIDE molecular structure lightbox
CAS RN: 19314-10-4

3-CHLORO-N-(4-HYDROXYPHENYL)PROPIONAMIDE

  • Product code: SSC-090295
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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: ＞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 19314-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

19314-10-4 / 3-chloro-N-(4-hydroxyphenyl)propanamide

Standard CAS: 19314-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19314-10-4
Multi CAS
No
Molecular Formula
C9H10ClNO2
Molecular Weight
199.630000
Exact Mass
199.040006
SMILES
C1=CC(=CC=C1NC(=O)CCCl)O
InChI
InChI=1S/C9H10ClNO2/c10-6-5-9(13)11-7-1-3-8(12)4-2-7/h1-4,12H,5-6H2,(H,11,13)
InChIKey
QMHVIXPPSYYGJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.07
TPSA
49.33

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1
Consensus LogP
1.56
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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