![CAS 1379466-13-3 tert-butyl N-[(1S,2S)-rel-2-(5-bromothiophen-2-yl)cyclopropyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1379466-13-3.gif)
CAS RN: 1379466-13-3
tert-butyl N-[(1S,2S)-rel-2-(5-bromothiophen-2-yl)cyclopropyl]carbamate
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.20250812 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-047880
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 | Shenzhen | Inquiry |
1379466-13-3 / tert-butyl N-[(1S,2S)-2-(5-bromothiophen-2-yl)cyclopropyl]carbamate
Basic Information
CAS
1379466-13-3
Multi CAS
No
Molecular Formula
C12H16BrNO2S
Molecular Weight
318.230000
Exact Mass
317.008510
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C2=CC=C(S2)Br
InChI
InChI=1S/C12H16BrNO2S/c1-12(2,3)16-11(15)14-8-6-7(8)9-4-5-10(13)17-9/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChIKey
WVEFTEZZHQMKFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.53
TPSA
38.33
LogP / Solubility
WLOGP
3.89
MLOGP
3.44
XLogP3
3.6
Consensus LogP
3.64
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
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)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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