CAS RN: 69327-76-0
Buprofezin
Product Availability
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2 package records2 with current stock2 grade groups
- Product code: starshine_CAS69327-76-0
- Purity/Analytical Methods: >99.0%
69327-76-0 / 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one
Basic Information
CAS
69327-76-0
Multi CAS
Yes
Molecular Formula
C16H23N3OS
Molecular Weight
305.400000
Exact Mass
305.156184
InChI
InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKey
PRLVTUNWOQKEAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
90.94
TPSA
35.91
LogP / Solubility
WLOGP
4.18
MLOGP
3.69
XLogP3
3.8
Consensus LogP
3.89
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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