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CAS 215928-65-7 6-TERT-BUTYL-3H-THIENO[3,2-D]PYRIMIDIN-4-ONE molecular structure lightbox
CAS RN: 215928-65-7

6-TERT-BUTYL-3H-THIENO[3,2-D]PYRIMIDIN-4-ONE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS215928-65-7
  • Purity/Analytical Methods: >99.0%
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215928-65-7 / 6-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one

Standard CAS: 215928-65-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215928-65-7
Multi CAS
No
Molecular Formula
C10H12N2OS
Molecular Weight
208.280000
Exact Mass
208.067034
SMILES
CC(C)(C)C1=CC2=C(S1)C(=O)NC=N2
InChI
InChI=1S/C10H12N2OS/c1-10(2,3)7-4-6-8(14-7)9(13)12-5-11-6/h4-5H,1-3H3,(H,11,12,13)
InChIKey
AMEMLELAMQEAIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.94
TPSA
45.75

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

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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