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CAS 98967-40-9 Flumetsulam molecular structure lightbox
CAS RN: 98967-40-9

Flumetsulam

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Batchno.20250426 100mg In stock Inquiry
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  • Product code: starshine_CAS98967-40-9
  • Purity/Analytical Methods: >99.0%
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98967-40-9 / N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

Standard CAS: 98967-40-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
98967-40-9
Multi CAS
Yes
Molecular Formula
C12F2H9N5O2S
Molecular Weight
325.300000
Exact Mass
325.044502
InChI
InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3
InChIKey
RXCPQSJAVKGONC-UHFFFAOYSA-N

Physical Properties

Melting Point
250-251 °C
Appearance
White powder Off-white solid Off-white to tan solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
72.69
TPSA
89.25

LogP / Solubility

WLOGP
1.51
MLOGP
1.35
XLogP3
1.6
Consensus LogP
1.49
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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