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CAS 342594-80-3 4-(BIS(2-METHYL-1H-INDOL-3-YL)METHYL)-2-METHOXYPHENOL molecular structure lightbox
CAS RN: 342594-80-3

4-(BIS(2-METHYL-1H-INDOL-3-YL)METHYL)-2-METHOXYPHENOL

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 25mg / 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS342594-80-3
  • Purity/Analytical Methods: >99.0%
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342594-80-3 / 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol

Standard CAS: 342594-80-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
342594-80-3
Multi CAS
No
Molecular Formula
C26H24N2O2
Molecular Weight
396.500000
Exact Mass
396.183778
InChI
InChI=1S/C26H24N2O2/c1-15-24(18-8-4-6-10-20(18)27-15)26(17-12-13-22(29)23(14-17)30-3)25-16(2)28-21-11-7-5-9-19(21)25/h4-14,26-29H,1-3H3
InChIKey
GXZXADANKQZZEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
3
Molar refractivity
121.68
TPSA
61.04

LogP / Solubility

WLOGP
6.16
MLOGP
5.44
XLogP3
6
Consensus LogP
5.87
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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