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CAS 612542-14-0 Hh-Ag1.5 molecular structure lightbox
CAS RN: 612542-14-0

Hh-Ag1.5

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250708 10mg In stock Shanghai Inquiry
Batchno.20251006 1mg In stock Shanghai Inquiry
Batchno.20260601 1mg / 5mg / 10mg Out of stock 8-10 business days Inquiry
Batchno.20251209 25mg In stock Shanghai Inquiry
Batchno.20250414 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS612542-14-0
  • Purity/Analytical Methods: >99.0%
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612542-14-0 / 3-chloro-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide

Standard CAS: 612542-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
612542-14-0
Multi CAS
No
Molecular Formula
C28H26CLF2N3OS
Molecular Weight
526.000000
Exact Mass
525.145318
InChI
InChI=1S/C28H26ClF2N3OS/c1-32-20-5-7-21(8-6-20)34(16-17-3-2-4-19(15-17)18-11-13-33-14-12-18)28(35)27-25(29)24-22(30)9-10-23(31)26(24)36-27/h2-4,9-15,20-21,32H,5-8,16H2,1H3
InChIKey
RXZDWPYJFCAZCW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
21
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
141.4
TPSA
45.23

LogP / Solubility

WLOGP
7.07
MLOGP
6.26
XLogP3
6.5
Consensus LogP
6.61
Log S (ESOL)
-7.59
Class (ESOL)
Insoluble
Log S (Ali)
-8.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

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