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CAS 103041-38-9 Ethyl 3-(2-Pyridylamino)propionate molecular structure lightbox
CAS RN: 103041-38-9

Ethyl 3-(2-Pyridylamino)propionate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250723 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-004490
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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: 100g
  • 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 103041-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

103041-38-9 / ethyl 3-(pyridin-2-ylamino)propanoate

N-2-Pyridinyl-beta-alanine ethyl ester | RefChem:828780 | Ethyl 3-(pyridin-2-ylamino)propanoate

Standard CAS: 103041-38-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103041-38-9
Multi CAS
Yes
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
SMILES
CCOC(=O)CCNC1=CC=CC=N1
InChI
InChI=1S/C10H14N2O2/c1-2-14-10(13)6-8-12-9-5-3-4-7-11-9/h3-5,7H,2,6,8H2,1H3,(H,11,12)
InChIKey
UITNIDFEANEWPC-UHFFFAOYSA-N
Synonyms
N-2-Pyridinyl-beta-alanine ethyl ester RefChem:828780 Ethyl 3-(pyridin-2-ylamino)propanoate N-[2]pyridyl-B-alanin-ethyl ester Ethyl 3-(2-Pyridylamino)propanoate

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.98
TPSA
51.22

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
1.9
Consensus LogP
1.54
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.88

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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