CAS RN: 1187932-25-7
(R)-tert-butyl 1-(3-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.20260226 | 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-018855
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: 0.25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1187932-25-7 / tert-butyl N-[(1R)-1-(3-bromophenyl)ethyl]carbamate
tert-Butyl (1-(3-bromophenyl)ethyl)carbamate | tert-butyl 1-(3-bromophenyl)ethylcarbamate | N-BOC-1-(3-bromophenyl)ethanamine
Basic Information
CAS
1187932-25-7
Multi CAS
Yes
Molecular Formula
C13H18BrNO2
Molecular Weight
300.190000
Exact Mass
299.052090
SMILES
C[C@H](C1=CC(=CC=C1)Br)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H18BrNO2/c1-9(10-6-5-7-11(14)8-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m1/s1
InChIKey
WWNQMGYJYMXOEU-SECBINFHSA-N
Synonyms
tert-Butyl (1-(3-bromophenyl)ethyl)carbamate
tert-butyl 1-(3-bromophenyl)ethylcarbamate
N-BOC-1-(3-bromophenyl)ethanamine
tert-butyl N-[1-(3-bromophenyl)ethyl]carbamate
MFCD12913697
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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