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CAS 1593673-23-4 Etripamil molecular structure lightbox
CAS RN: 1593673-23-4

Etripamil

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1593673-23-4
  • Purity/Analytical Methods: >99.0%
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1593673-23-4 / methyl 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate

Standard CAS: 1593673-23-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1593673-23-4
Multi CAS
No
Molecular Formula
C27H36N2O4
Molecular Weight
452.600000
Exact Mass
452.267508
SMILES
CC(C)[C@](CCCN(C)CCC1=CC(=CC=C1)C(=O)OC)(C#N)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C27H36N2O4/c1-20(2)27(19-28,23-11-12-24(31-4)25(18-23)32-5)14-8-15-29(3)16-13-21-9-7-10-22(17-21)26(30)33-6/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t27-/m0/s1
InChIKey
VAZNEHLGJGSQEL-MHZLTWQESA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
129.89
TPSA
71.79

LogP / Solubility

WLOGP
4.86
MLOGP
4.31
XLogP3
3.7
Consensus LogP
4.29
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
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)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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