CAS RN: 1187932-11-1
(S)-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.20260624 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-018853
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1187932-11-1 / tert-butyl N-[(1S)-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
1187932-11-1
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-/m0/s1
InChIKey
RMNWPYMNQJCFTE-VIFPVBQESA-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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