[email protected]
CAS 1807523-99-4 IACS-10759 Hydrochloride molecular structure lightbox
CAS RN: 1807523-99-4

IACS-10759 Hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250807 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1807523-99-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1807523-99-4 / 5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;hydrochloride

Standard CAS: 1807523-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1807523-99-4
Multi CAS
No
Molecular Formula
C25H26ClF3N6O4S
Molecular Weight
599.000000
Exact Mass
598.137687
SMILES
CC1=NC(=NN1CC2=CC(=CC=C2)N3CCC(CC3)S(=O)(=O)C)C4=NC(=NO4)C5=CC=C(C=C5)OC(F)(F)F.Cl
InChI
InChI=1S/C25H25F3N6O4S.ClH/c1-16-29-23(24-30-22(32-38-24)18-6-8-20(9-7-18)37-25(26,27)28)31-34(16)15-17-4-3-5-19(14-17)33-12-10-21(11-13-33)39(2,35)36;/h3-9,14,21H,10-13,15H2,1-2H3;1H
InChIKey
LUSCFOVOISLXTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
22
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
1
Molar refractivity
143.04
TPSA
116.24

LogP / Solubility

WLOGP
4.69
MLOGP
4.17
XLogP3
4.69
Consensus LogP
4.52
Log S (ESOL)
-6.45
Class (ESOL)
Insoluble
Log S (Ali)
-7.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us