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CAS 247257-48-3 2-(1-((2′-(2H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N,N-dimethylethanethioamide molecular structure lightbox
CAS RN: 247257-48-3

2-(1-((2′-(2H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-butyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N,N-dimethylethanethioamide

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260606 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20251106 1g In stock Shanghai Inquiry
Batchno.20250317 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250516 250mg In stock Shanghai Inquiry
Batchno.20251112 25g In stock Shanghai Inquiry
Batchno.20250209 25mg In stock Shanghai, Wuhan Inquiry
Batchno.20260326 50mg In stock Shanghai, Wuhan Inquiry
Batchno.20250216 5g In stock Shanghai Inquiry
Batchno.20260130 5mg In stock Shanghai, Wuhan Inquiry
Batchno.20260415 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-119769
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 247257-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

247257-48-3 / 2-[2-butyl-4-methyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]-N,N-dimethylethanethioamide

Standard CAS: 247257-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
247257-48-3
Multi CAS
No
Molecular Formula
C27H31N7OS
Molecular Weight
501.600000
Exact Mass
501.231080
SMILES
CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC(=S)N(C)C)C
InChI
InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)
InChIKey
AMEROGPZOLAFBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
23
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
1
Molar refractivity
145.99
TPSA
92.59

LogP / Solubility

WLOGP
4.22
MLOGP
3.75
XLogP3
3.5
Consensus LogP
3.82
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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