![CAS 1466528-35-7 Carbamic acid, N-[(1R)-1-(3-bromo-2-methylphenyl)ethyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1466528-35-7(2).gif)
CAS RN: 1466528-35-7
Carbamic acid, N-[(1R)-1-(3-bromo-2-methylphenyl)ethyl]-, 1,1-dimethylethyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250816 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1466528-35-7
- Purity/Analytical Methods: >99.0%
1466528-35-7 / tert-butyl N-[(1S)-1-(3-bromo-2-methylphenyl)ethyl]carbamate
Basic Information
CAS
1466528-35-7
Multi CAS
No
Molecular Formula
C14H20BrNO2
Molecular Weight
314.220000
Exact Mass
313.067740
SMILES
CC1=C(C=CC=C1Br)[C@H](C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H20BrNO2/c1-9-11(7-6-8-12(9)15)10(2)16-13(17)18-14(3,4)5/h6-8,10H,1-5H3,(H,16,17)/t10-/m0/s1
InChIKey
XKOOYFHELMABPJ-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.66
TPSA
38.33
LogP / Solubility
WLOGP
4.34
MLOGP
3.84
XLogP3
3.9
Consensus LogP
4.03
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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