[email protected]
CAS 446263-95-2 6-amino-3-Pyridinepropanoic acid methyl ester molecular structure lightbox
CAS RN: 446263-95-2

6-amino-3-Pyridinepropanoic 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.20260124 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS446263-95-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

446263-95-2 / methyl 3-(6-amino-3-pyridinyl)propanoate

Standard CAS: 446263-95-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
446263-95-2
Multi CAS
Yes
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
InChI
InChI=1S/C9H12N2O2/c1-13-9(12)5-3-7-2-4-8(10)11-6-7/h2,4,6H,3,5H2,1H3,(H2,10,11)
InChIKey
BTFGRXXCHIJMRQ-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
48.99
TPSA
65.21

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.6
Consensus LogP
0.68
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.27

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us