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CAS 2444-13-5 [(PYRIDIN-2-YLMETHYL)AMINO]ACETIC ACID molecular structure lightbox
CAS RN: 2444-13-5

[(PYRIDIN-2-YLMETHYL)AMINO]ACETIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2444-13-5
  • Purity/Analytical Methods: >99.0%
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2444-13-5 / 2-(pyridin-2-ylmethylamino)acetic acid

Standard CAS: 2444-13-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2444-13-5
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
C1=CC=NC(=C1)CNCC(=O)O
InChI
InChI=1S/C8H10N2O2/c11-8(12)6-9-5-7-3-1-2-4-10-7/h1-4,9H,5-6H2,(H,11,12)
InChIKey
MDMCWJVDDJDEGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.58
TPSA
62.22

LogP / Solubility

WLOGP
0.26
MLOGP
0.22
XLogP3
-2.4
Consensus LogP
-0.64
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.55

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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