CAS RN: 1086600-12-5
(R)-tert-butyl 1-(2-bromophenyl)ethylcarbamate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250925 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1086600-12-5
- Purity/Analytical Methods: >99.0%
1086600-12-5 / tert-butyl N-[(1R)-1-(2-bromophenyl)ethyl]carbamate
tert-Butyl (1-(2-bromophenyl)ethyl)carbamate | tert-butyl N-[1-(2-bromophenyl)ethyl]carbamate | [1-(2-Bromo-phenyl)-ethyl]-carbamic acid tert-butyl ester
Basic Information
CAS
1086600-12-5
Multi CAS
Yes
Molecular Formula
C13H18BrNO2
Molecular Weight
300.190000
Exact Mass
299.052090
SMILES
C[C@H](C1=CC=CC=C1Br)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H18BrNO2/c1-9(10-7-5-6-8-11(10)14)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m1/s1
InChIKey
RMNWPYMNQJCFTE-SECBINFHSA-N
Synonyms
tert-Butyl (1-(2-bromophenyl)ethyl)carbamate
tert-butyl N-[1-(2-bromophenyl)ethyl]carbamate
[1-(2-Bromo-phenyl)-ethyl]-carbamic acid tert-butyl ester
MFCD11506015
CarbaMic acid, [1-(2-broMophenyl)ethyl]-, 1,1-diMethylethyl ester
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.93
TPSA
38.33
LogP / Solubility
WLOGP
4.03
MLOGP
3.56
XLogP3
3.5
Consensus LogP
3.7
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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)
-1.69
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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![CAS 1087345-30-9 (11bS)- 2,6-bis[2,6-bis(1-methylethyl)-4-tricyclo[3.3.1.13,7]dec-1-ylphenyl]-4-hydroxy-4-oxide-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1087345-30-9.gif)