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CAS 287476-17-9 2-CHLORO-4-ETHYLAMINO-15N-6-ISOPROPYLAMINO-1,3,5-TRIAZINE molecular structure lightbox
CAS RN: 287476-17-9

2-CHLORO-4-ETHYLAMINO-15N-6-ISOPROPYLAMINO-1,3,5-TRIAZINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250515 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS287476-17-9
  • Purity/Analytical Methods: >99.0%
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287476-17-9 / 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-di(15N)amine

Standard CAS: 287476-17-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
287476-17-9
Multi CAS
No
Molecular Formula
C8H14CLN5
Molecular Weight
216.680000
Exact Mass
216.090808
InChI
InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)/i10+1
InChIKey
MXWJVTOOROXGIU-DETAZLGJSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
57.76
TPSA
62.73

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
2.6
Consensus LogP
1.98
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.77

Drug-likeness / Medicinal Chemistry

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

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