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CAS 886-50-0 Terbutryn molecular structure lightbox
CAS RN: 886-50-0

Terbutryn

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 100mg In stock Shanghai Inquiry
Batchno.20260419 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250427 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250310 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS886-50-0
  • Purity/Analytical Methods: >99.0%
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886-50-0 / 2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

Standard CAS: 886-50-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
886-50-0
Multi CAS
No
Molecular Formula
C10H19N5S
Molecular Weight
241.360000
Exact Mass
241.136117
InChI
InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
InChIKey
IROINLKCQGIITA-UHFFFAOYSA-N

Physical Properties

Melting Point
104 °C
Boiling Point
154-160 °C at 0.06 mm Hg
Density
1.115 at 20 °C
Physical Description
White solid; [HSDB]
Appearance
WHITE, CRYSTALLINE White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
69.15
TPSA
62.73

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
3.7
Consensus LogP
2.64
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.6

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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