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CAS 33560-87-1 2-AMINO-3-PYRIDIN-2-YL-PROPIONIC ACID ETHYL ESTER DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 33560-87-1

2-AMINO-3-PYRIDIN-2-YL-PROPIONIC ACID ETHYL ESTER DIHYDROCHLORIDE

  • Product code: SSC-139711
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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 33560-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

33560-87-1 / ethyl 2-amino-3-pyridin-2-ylpropanoate;dihydrochloride

Standard CAS: 33560-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33560-87-1
Multi CAS
No
Molecular Formula
C10H16CL2N2O2
Molecular Weight
267.150000
Exact Mass
266.058883
InChI
InChI=1S/C10H14N2O2.2ClH/c1-2-14-10(13)9(11)7-8-5-3-4-6-12-8;;/h3-6,9H,2,7,11H2,1H3;2*1H
InChIKey
LGQBRRAWFWTBDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.05
TPSA
65.21

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

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

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