CAS RN: 1450929-77-7
LHF-535
Product Availability
Choose a grade to view its available package options.
6 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250301 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1450929-77-7
- Purity/Analytical Methods: >99.0%
1450929-77-7 / 2-[4-[(Z)-2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]propan-2-ol
Basic Information
CAS
1450929-77-7
Multi CAS
No
Molecular Formula
C27H28N2O2
Molecular Weight
412.500000
Exact Mass
412.215078
SMILES
CC(C)OC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)/C=C\C4=CC=C(C=C4)C(C)(C)O
InChI
InChI=1S/C27H28N2O2/c1-19(2)31-24-14-12-23(13-15-24)29-18-28-25-17-21(9-16-26(25)29)6-5-20-7-10-22(11-8-20)27(3,4)30/h5-19,30H,1-4H3/b6-5-
InChIKey
DBNZTRPIBJSUIX-WAYWQWQTSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
127.45
TPSA
47.28
LogP / Solubility
WLOGP
6.21
MLOGP
5.49
XLogP3
5.8
Consensus LogP
5.83
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
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)
-0.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1451002-39-3 Chloro(2-dicyclohexylphosphino-3,6-diMethoxy-2′,4′,6′-tri-i-propyl-1,1′-biphenyl)(2′-aMino-1,1′-biphenyl-2-yl)palladiuM(II), Min. 98% [BrettPhos Palladacycle] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451002-39-3.gif)
![CAS 1451046-72-2 (2S)-6-[[(E)-but-2-enoyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451046-72-2.gif)
![CAS 1451057-19-4 (1R,1’R)-1,1’-[(S)-[1,1’-Binaphthalene]-2,2’-diyl]bis(2-propen-1-ol) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451057-19-4.gif)