[email protected]
CAS 1398534-61-6 3-Chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine molecular structure lightbox
CAS RN: 1398534-61-6

3-Chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

  • Product code: SSC-050369
GET A QUOTE
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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1398534-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g -- 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1398534-61-6 / 3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

Standard CAS: 1398534-61-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1398534-61-6
Multi CAS
No
Molecular Formula
C6H8ClN3
Molecular Weight
157.600000
Exact Mass
157.040675
SMILES
C1CCN2C(=NN=C2Cl)C1
InChI
InChI=1S/C6H8ClN3/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H2
InChIKey
OFTYXETUCVASIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
3
Molar refractivity
37.97
TPSA
30.71

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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 (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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us