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CAS 421578-44-1 N-(4-bromophenyl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide molecular structure lightbox
CAS RN: 421578-44-1

N-(4-bromophenyl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 1ml In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251121 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS421578-44-1
  • Purity/Analytical Methods: >99.0%
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421578-44-1 / N-(4-bromophenyl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Standard CAS: 421578-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
421578-44-1
Multi CAS
No
Molecular Formula
BC16H14ORn3S2
Molecular Weight
408.300000
Exact Mass
406.976170
InChI
InChI=1S/C16H14BrN3OS2/c1-2-12-7-13-15(18-9-19-16(13)23-12)22-8-14(21)20-11-5-3-10(17)4-6-11/h3-7,9H,2,8H2,1H3,(H,20,21)
InChIKey
NFEJDBPAOJGWDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
100.29
TPSA
54.88

LogP / Solubility

WLOGP
4.75
MLOGP
4.2
XLogP3
4.8
Consensus LogP
4.58
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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