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CAS 304439-23-4 (3aS,6aR)-4-(5-broMopentyl)tetrahydro-1H-thieno[3,4-d]iMidazol-2(3H)-one molecular structure lightbox
CAS RN: 304439-23-4

(3aS,6aR)-4-(5-broMopentyl)tetrahydro-1H-thieno[3,4-d]iMidazol-2(3H)-one

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260506 100mg Out of stock Inquiry
Batchno.20250228 25mg Out of stock Inquiry
  • Product code: starshine_CAS304439-23-4
  • Purity/Analytical Methods: >99.0%
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304439-23-4 / (3aS,6aR)-4-(5-bromopentyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one

Standard CAS: 304439-23-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
304439-23-4
Multi CAS
Yes
Molecular Formula
BC10H17ORn2S
Molecular Weight
293.230000
Exact Mass
292.024500
InChI
InChI=1S/C10H17BrN2OS/c11-5-3-1-2-4-8-9-7(6-15-8)12-10(14)13-9/h7-9H,1-6H2,(H2,12,13,14)/t7-,8?,9-/m0/s1
InChIKey
UOEFYJDREUFJRJ-SMOXQLQSSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.75
TPSA
41.13

LogP / Solubility

WLOGP
2.11
MLOGP
1.87
XLogP3
2
Consensus LogP
1.99
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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