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CAS 1380672-07-0 G007-LK molecular structure lightbox
CAS RN: 1380672-07-0

G007-LK

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250118 1ml In stock Inquiry
  • Product code: SSC-048059
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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: 0.1g
  • 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 1380672-07-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

1380672-07-0 / 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]benzonitrile

Standard CAS: 1380672-07-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1380672-07-0
Multi CAS
No
Molecular Formula
C25H16ClN7O3S
Molecular Weight
530.000000
Exact Mass
529.072386
SMILES
CS(=O)(=O)C1=CN=C(C=C1)C2=NN=C(N2C3=CC=CC=C3Cl)/C=C/C4=NN=C(O4)C5=CC=C(C=C5)C#N
InChI
InChI=1S/C25H16ClN7O3S/c1-37(34,35)18-10-11-20(28-15-18)24-31-29-22(33(24)21-5-3-2-4-19(21)26)12-13-23-30-32-25(36-23)17-8-6-16(14-27)7-9-17/h2-13,15H,1H3/b13-12+
InChIKey
HIWVLHPKZNBSBE-OUKQBFOZSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
28
Fraction Csp3
0.04
Rotatable bonds
6
H-bond acceptors
10
Molar refractivity
136.09
TPSA
140.45

LogP / Solubility

WLOGP
4.48
MLOGP
3.98
XLogP3
3.1
Consensus LogP
3.85
Log S (ESOL)
-6.11
Class (ESOL)
Insoluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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