![CAS 672314-45-3 (1R)-N-((1R)-1-Phenylethyl)-1-[4-(tert-butyldimethylsilyloxymethyl)cyclohexyl]ethan-1-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/672314-45-3.gif)
CAS RN: 672314-45-3
(1R)-N-((1R)-1-Phenylethyl)-1-[4-(tert-butyldimethylsilyloxymethyl)cyclohexyl]ethan-1-amine
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260626 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS672314-45-3
- Purity/Analytical Methods: >99.0%
672314-45-3 / (1R)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-N-[(1R)-1-phenylethyl]ethanamine
Basic Information
CAS
672314-45-3
Multi CAS
Yes
Molecular Formula
C23H41NOSi
Molecular Weight
375.700000
Exact Mass
375.295741
InChI
InChI=1S/C23H41NOSi/c1-18(21-11-9-8-10-12-21)24-19(2)22-15-13-20(14-16-22)17-25-26(6,7)23(3,4)5/h8-12,18-20,22,24H,13-17H2,1-7H3/t18-,19-,20?,22?/m1/s1
InChIKey
HSNLWMTVQLXSCZ-NDUMYTTKSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.74
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
116.05
TPSA
21.26
LogP / Solubility
WLOGP
6.55
MLOGP
5.79
XLogP3
6.55
Consensus LogP
6.3
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.36
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
3.5
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