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CAS 62491-92-3 N-PYRIDIN-3-YLETHANE-1,2-DIAMINE molecular structure lightbox
CAS RN: 62491-92-3

N-PYRIDIN-3-YLETHANE-1,2-DIAMINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250608 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS62491-92-3
  • Purity/Analytical Methods: >99.0%
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62491-92-3 / N'-pyridin-3-ylethane-1,2-diamine

Standard CAS: 62491-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62491-92-3
Multi CAS
No
Molecular Formula
C7H11N3
Molecular Weight
137.180000
Exact Mass
137.095297
InChI
InChI=1S/C7H11N3/c8-3-5-10-7-2-1-4-9-6-7/h1-2,4,6,10H,3,5,8H2
InChIKey
VPTHSIHGLIRODH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.78
TPSA
50.94

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
XLogP3
-0.1
Consensus LogP
0.25
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.24

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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