[email protected]
CAS 129042-89-3 3-Amino-3-pyridin-3-yl-propionic acid methyl ester molecular structure lightbox
CAS RN: 129042-89-3

3-Amino-3-pyridin-3-yl-propionic acid methyl ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260209 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-036238
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 129042-89-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 4 In Stock Shenzhen Inquiry
5g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry

129042-89-3 / methyl 3-amino-3-pyridin-3-ylpropanoate

Standard CAS: 129042-89-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129042-89-3
Multi CAS
No
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
SMILES
COC(=O)CC(C1=CN=CC=C1)N
InChI
InChI=1S/C9H12N2O2/c1-13-9(12)5-8(10)7-3-2-4-11-6-7/h2-4,6,8H,5,10H2,1H3
InChIKey
PNXGVJAVPWMYRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.8
TPSA
65.21

LogP / Solubility

WLOGP
0.64
MLOGP
0.56
XLogP3
-0.4
Consensus LogP
0.27
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-3.36

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us