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CAS 105650-23-5 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE molecular structure lightbox
CAS RN: 105650-23-5

2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251112 100mg In stock Shanghai Inquiry
Batchno.20250810 10mg In stock Shanghai Inquiry
Batchno.20250214 250mg In stock Shanghai Inquiry
Batchno.20251119 25mg In stock Shanghai Inquiry
Batchno.20251108 50mg In stock Shanghai Inquiry
Batchno.20250107 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250902 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-007368
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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: 0.1g
  • Available purity: ≥95%
  • 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 105650-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

105650-23-5 / 1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine

PhIP | 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine | 1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine

Standard CAS: 105650-23-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
105650-23-5
Multi CAS
Yes
Molecular Formula
C13H12N4
Molecular Weight
224.260000
Exact Mass
224.106196
SMILES
CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N
InChI
InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
InChIKey
UQVKZNNCIHJZLS-UHFFFAOYSA-N
Synonyms
PhIP 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine 1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine 1-Methyl-6-phenyl-1H-imidazo(4,5-b)pyridin-2-amine

Physical Properties

Melting Point
327 °C MP: 327-328 °C 327 - 328 °C
Physical Description
Gray-white solid; [Merck Index] Solid
Appearance
Gray-white crystals Solid
State
Solid
Storage Conditions
PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.36
TPSA
56.73

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
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)
-2.51

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)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H351 (97.6%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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