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CAS 1886-13-1 4,5-bis(4-dimethylaminophenyl)-2-(3,5-dimethoxy-4-hydroxyphenyl)imidazole molecular structure lightbox
CAS RN: 1886-13-1

4,5-bis(4-dimethylaminophenyl)-2-(3,5-dimethoxy-4-hydroxyphenyl)imidazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1886-13-1
  • Purity/Analytical Methods: >99.0%
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1886-13-1 / 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethoxyphenol

Standard CAS: 1886-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1886-13-1
Multi CAS
No
Molecular Formula
C27H30N4O3
Molecular Weight
458.600000
Exact Mass
458.231791
SMILES
CN(C)C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC(=C(C(=C3)OC)O)OC)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C27H30N4O3/c1-30(2)20-11-7-17(8-12-20)24-25(18-9-13-21(14-10-18)31(3)4)29-27(28-24)19-15-22(33-5)26(32)23(16-19)34-6/h7-16,32H,1-6H3,(H,28,29)
InChIKey
SZXKSDXHODZTFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
23
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
138.32
TPSA
73.85

LogP / Solubility

WLOGP
5.27
MLOGP
4.66
XLogP3
4.9
Consensus LogP
4.94
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.85
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)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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