![CAS 2007909-42-2 Methyl 3-(4-bromothiazol-2-yl)-3-azabicyclo[3.2.1]octane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007909-42-2.png)
CAS RN: 2007909-42-2
Methyl 3-(4-bromothiazol-2-yl)-3-azabicyclo[3.2.1]octane-8-carboxylate
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.20250907 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-094662
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 | Shanghai | Inquiry |
2007909-42-2 / methyl 3-(4-bromo-1,3-thiazol-2-yl)-3-azabicyclo[3.2.1]octane-8-carboxylate
Basic Information
CAS
2007909-42-2
Multi CAS
No
Molecular Formula
C12H15BrN2O2S
Molecular Weight
331.230000
Exact Mass
330.003760
SMILES
COC(=O)C1C2CCC1CN(C2)C3=NC(=CS3)Br
InChI
InChI=1S/C12H15BrN2O2S/c1-17-11(16)10-7-2-3-8(10)5-15(4-7)12-14-9(13)6-18-12/h6-8,10H,2-5H2,1H3
InChIKey
RVORUMJDEQLUNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
73.75
TPSA
42.43
LogP / Solubility
WLOGP
2.54
MLOGP
2.25
XLogP3
3.1
Consensus LogP
2.63
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
Customers Also Viewed
-
bis(trifluoroacetic acid)
- CAS RN: 2007909-47-7
- Product Code: starshine_CAS2007909-47-7
- Purity/Analytical method: >99.0%
-
(5S)-5-(aminomethyl)-1,3-oxazolidin-2-one hydrochloride
- CAS RN: 2007909-59-1
- Product Code: SSC-094663
-
-
N-methyl-N-[(3R)-piperidin-3-yl]acetamide hydrochloride
- CAS RN: 2007909-72-8
- Product Code: SSC-094665
-
6,6′-dimethyl 5,5′-dibromo-2H,2’H,3H,3’H-[1,1′-biindole]-6,6′-dicarboxylate
- CAS RN: 2007910-50-9
- Product Code: SSC-094666
-
exo-3-amino-8-boc-8-azabicyclo[3.2.1]octane acetate
- CAS RN: 2007910-58-7
- Product Code: SSC-094668
![CAS 2007909-72-8 N-methyl-N-[(3R)-piperidin-3-yl]acetamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007909-72-8.png)
![CAS 2007910-50-9 6,6′-dimethyl 5,5′-dibromo-2H,2’H,3H,3’H-[1,1′-biindole]-6,6′-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007910-50-9.png)
![CAS 2007910-58-7 exo-3-amino-8-boc-8-azabicyclo[3.2.1]octane acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007910-58-7.png)