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CAS 38902-68-0 TRIETAZINE-DESETHYL molecular structure lightbox
CAS RN: 38902-68-0

TRIETAZINE-DESETHYL

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 100mg In stock Shanghai Inquiry
Batchno.20250909 1g In stock Shanghai Inquiry
Batchno.20250518 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS38902-68-0
  • Purity/Analytical Methods: >99.0%
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38902-68-0 / 6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

Standard CAS: 38902-68-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38902-68-0
Multi CAS
Yes
Molecular Formula
C7H12CLN5
Molecular Weight
201.660000
Exact Mass
201.078123
InChI
InChI=1S/C7H12ClN5/c1-3-13(4-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKey
IKPKORYHXFIOSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.81
TPSA
67.93

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
2.3
Consensus LogP
1.36
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-3.27

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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