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CAS 925238-89-7 (R)-N-(2-(1H-indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethyl)-2-aminoacetamide hydrochloride molecular structure lightbox
CAS RN: 925238-89-7

(R)-N-(2-(1H-indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethyl)-2-aminoacetamide hydrochloride

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Batchno.20250828 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS925238-89-7
  • Purity/Analytical Methods: >99.0%
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925238-89-7 / 2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide

Standard CAS: 925238-89-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
925238-89-7
Multi CAS
Yes
Molecular Formula
C30H32N6O2
Molecular Weight
508.600000
Exact Mass
508.258674
InChI
InChI=1S/C30H32N6O2/c1-38-24-14-11-22(12-15-24)20-36-28(16-13-21-7-3-2-4-8-21)34-35-30(36)27(33-29(37)18-31)17-23-19-32-26-10-6-5-9-25(23)26/h2-12,14-15,19,27,32H,13,16-18,20,31H2,1H3,(H,33,37)/t27-/m1/s1
InChIKey
OZSZELOMMMKWTM-HHHXNRCGSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
26
Fraction Csp3
0.23
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
3
Molar refractivity
147.91
TPSA
110.85

LogP / Solubility

WLOGP
3.96
MLOGP
3.52
XLogP3
3.6
Consensus LogP
3.69
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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