![CAS 1012104-43-6 1H-BenziMidazole-5-carboxylic acid, 2-aMino-1-[trans-4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]cyclohexyl]-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1012104-43-6.gif)
CAS RN: 1012104-43-6
1H-BenziMidazole-5-carboxylic acid, 2-aMino-1-[trans-4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]cyclohexyl]-, ethyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1012104-43-6
- Purity/Analytical Methods: >99.0%
1012104-43-6 / ethyl 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]benzimidazole-5-carboxylate
1H-Benzimidazole-5-carboxylic acid, 2-amino-1-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, ethyl ester | Ethyl 2-amino-1-[trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexyl]-1H-benzo[d]imidazole-5-carboxylate | Ethyl 2-amino-1-((1r,4r)-4-((tert-butyldimethylsilyl)oxy)cyclohexyl)-1H-benzo[d]imidazole-5-carboxylate
Basic Information
CAS
1012104-43-6
Multi CAS
No
Molecular Formula
C22H35N3O3Si
Molecular Weight
417.600000
Exact Mass
417.244769
SMILES
CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)N)C3CCC(CC3)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C22H35N3O3Si/c1-7-27-20(26)15-8-13-19-18(14-15)24-21(23)25(19)16-9-11-17(12-10-16)28-29(5,6)22(2,3)4/h8,13-14,16-17H,7,9-12H2,1-6H3,(H2,23,24)
InChIKey
VBSBJMSDOHBNMB-UHFFFAOYSA-N
Synonyms
1H-Benzimidazole-5-carboxylic acid, 2-amino-1-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, ethyl ester
Ethyl 2-amino-1-[trans-4-[(tert-butyldimethylsilyl)oxy]cyclohexyl]-1H-benzo[d]imidazole-5-carboxylate
Ethyl 2-amino-1-((1r,4r)-4-((tert-butyldimethylsilyl)oxy)cyclohexyl)-1H-benzo[d]imidazole-5-carboxylate
ethyl 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]benzimidazole-5-carboxylate
C22H35N3O3Si
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
9
Fraction Csp3
0.64
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
119.68
TPSA
79.37
LogP / Solubility
WLOGP
5.3
MLOGP
4.69
XLogP3
5.3
Consensus LogP
5.1
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.37
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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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