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CAS 1082-19-5 2-cyano-1,10-phenanthroline molecular structure lightbox
CAS RN: 1082-19-5

2-cyano-1,10-phenanthroline

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250216 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250521 1g In stock Shanghai Inquiry
Batchno.20250128 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260415 5g In stock Shanghai Inquiry
  • Product code: SSC-009412
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1082-19-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1082-19-5 / 1,10-phenanthroline-2-carbonitrile

1,10-phenanthroline-2-carbonitrile | DTXSID80350474 | RefChem:214110

Standard CAS: 1082-19-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1082-19-5
Multi CAS
No
Molecular Formula
C13H7N3
Molecular Weight
205.210000
Exact Mass
205.063997
SMILES
C1=CC2=C(C3=C(C=C2)C=CC(=N3)C#N)N=C1
InChI
InChI=1S/C13H7N3/c14-8-11-6-5-10-4-3-9-2-1-7-15-12(9)13(10)16-11/h1-7H
InChIKey
LSMQCFPLQFCYAW-UHFFFAOYSA-N
Synonyms
1,10-phenanthroline-2-carbonitrile DTXSID80350474 RefChem:214110 DTXCID20301541 2-cyano-1,10-phenanthroline

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
3
Molar refractivity
61.76
TPSA
49.57

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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