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CAS 101003-65-0 4’-HYDROXY-2,2’:6’,2’’-TERPYRIDINE molecular structure lightbox
CAS RN: 101003-65-0

4’-HYDROXY-2,2’:6’,2’’-TERPYRIDINE

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250510 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251212 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250514 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251011 5g In stock Shanghai, Tianjin Inquiry
  • Product code: LINH888186
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101003-65-0 / 2,6-dipyridin-2-yl-1H-pyridin-4-one

2,6-Bis(2-pyridyl)-4(1H)-pyridone | RefChem:445204 | 626-145-5

Standard CAS: 101003-65-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101003-65-0
Multi CAS
No
Molecular Formula
C15H11N3O
Molecular Weight
249.270000
Exact Mass
249.090212
SMILES
C1=CC=NC(=C1)C2=CC(=O)C=C(N2)C3=CC=CC=N3
InChI
InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19)
InChIKey
HRORSVNZQWCZTD-UHFFFAOYSA-N
Synonyms
2,6-Bis(2-pyridyl)-4(1H)-pyridone RefChem:445204 626-145-5 [2,2':6',2''-Terpyridin]-4'-ol [2,2':6',2''-Terpyridin]-4'(1'H)-one

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.52
TPSA
58.64

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
1.3
Consensus LogP
2
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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