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CAS 57500-81-9 3-Amino-N-(4-methoxyphenyl)propanamidehydrochloride molecular structure lightbox
CAS RN: 57500-81-9

3-Amino-N-(4-methoxyphenyl)propanamidehydrochloride

  • Product code: SSC-165677
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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 57500-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

57500-81-9 / 3-amino-N-(4-methoxyphenyl)propanamide;hydrochloride

Standard CAS: 57500-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57500-81-9
Multi CAS
No
Molecular Formula
C10H15CLN2O2
Molecular Weight
230.690000
Exact Mass
230.082205
InChI
InChI=1S/C10H14N2O2.ClH/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11;/h2-5H,6-7,11H2,1H3,(H,12,13);1H
InChIKey
DIPLWUPGXQMDKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.54
TPSA
64.35

LogP / Solubility

WLOGP
1.4
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

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