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CAS 149860-22-0 2-(BIS-(2-PYRIDYLMETHYL)-AMINO)-ETHANOL molecular structure lightbox
CAS RN: 149860-22-0

2-(BIS-(2-PYRIDYLMETHYL)-AMINO)-ETHANOL

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6 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251021 100mg In stock Shanghai Inquiry
Batchno.20250731 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20251016 1g In stock Shanghai Inquiry
Batchno.20260604 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251219 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251003 200mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS149860-22-0
  • Purity/Analytical Methods: >99.0%
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149860-22-0 / 2-[bis(pyridin-2-ylmethyl)amino]ethanol

Standard CAS: 149860-22-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
149860-22-0
Multi CAS
No
Molecular Formula
C14H17N3O
Molecular Weight
243.300000
Exact Mass
243.137162
SMILES
C1=CC=NC(=C1)CN(CCO)CC2=CC=CC=N2
InChI
InChI=1S/C14H17N3O/c18-10-9-17(11-13-5-1-3-7-15-13)12-14-6-2-4-8-16-14/h1-8,18H,9-12H2
InChIKey
DUFCPZLMEULRED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.67
TPSA
49.25

LogP / Solubility

WLOGP
1.47
MLOGP
1.3
XLogP3
0.5
Consensus LogP
1.09
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-3.16

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

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