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CAS 1202800-68-7 tert-Butyl 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carboxylate molecular structure lightbox
CAS RN: 1202800-68-7

tert-Butyl 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-021145
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1202800-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Beijing Inquiry
10g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Hong Kong Inquiry

1202800-68-7 / tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

tert-butyl 1h,4h,5h,6h,7h-imidazo[4,5-c]pyridine-5-carboxylate | tert-butyl 1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine-5-carboxylate | RefChem:892133

Standard CAS: 1202800-68-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1202800-68-7
Multi CAS
No
Molecular Formula
C11H17N3O2
Molecular Weight
223.270000
Exact Mass
223.132077
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)NC=N2
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-8-9(6-14)13-7-12-8/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
DGOLMFKQDDOSPK-UHFFFAOYSA-N
Synonyms
tert-butyl 1h,4h,5h,6h,7h-imidazo[4,5-c]pyridine-5-carboxylate tert-butyl 1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine-5-carboxylate RefChem:892133 981-596-8 tert-butyl 6,7-dihydro-1H-imidazo[4,5-c]pyridine-5(4H)-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.94
TPSA
58.22

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
0.9
Consensus LogP
1.37
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-2.87

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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