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CAS 56161-89-8 METHYL P-AMINOETHYLBENZOATE HCL molecular structure lightbox
CAS RN: 56161-89-8

METHYL P-AMINOETHYLBENZOATE HCL

  • Product code: SSC-164140
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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: 0.25g, 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 56161-89-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

56161-89-8 / 2-(4-methoxycarbonylphenyl)ethylazanium chloride

Standard CAS: 56161-89-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56161-89-8
Multi CAS
Yes
Molecular Formula
C10H14CLNO2
Molecular Weight
215.670000
Exact Mass
215.071306
InChI
InChI=1S/C10H13NO2.ClH/c1-13-10(12)9-4-2-8(3-5-9)6-7-11;/h2-5H,6-7,11H2,1H3;1H
InChIKey
HYBVWCPWTPZFQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.24
TPSA
53.94

LogP / Solubility

WLOGP
-2.74
MLOGP
-2.41
XLogP3
-2.74
Consensus LogP
-2.63
Log S (ESOL)
0.43
Class (ESOL)
Highly soluble
Log S (Ali)
0.65
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.85
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.98

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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