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CAS 148312-23-6 2,4-Dichloro-6-cyclopropyl-1,3,5-triazine molecular structure lightbox
CAS RN: 148312-23-6

2,4-Dichloro-6-cyclopropyl-1,3,5-triazine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250327 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS148312-23-6
  • Purity/Analytical Methods: >99.0%
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148312-23-6 / 2,4-dichloro-6-cyclopropyl-1,3,5-triazine

Standard CAS: 148312-23-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
148312-23-6
Multi CAS
No
Molecular Formula
C6H5Cl2N3
Molecular Weight
190.030000
Exact Mass
188.986053
SMILES
C1CC1C2=NC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C6H5Cl2N3/c7-5-9-4(3-1-2-3)10-6(8)11-5/h3H,1-2H2
InChIKey
RHYYBHZFUCSINS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.82
TPSA
38.67

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
2.5
Consensus LogP
2.12
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.42

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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