CAS RN: 2144755-94-0
3-PyABr
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251005 | 25mg / 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2144755-94-0
- Purity/Analytical Methods: >99.0%
2144755-94-0 / pyridin-3-ylmethanamine;hydrobromide
Basic Information
CAS
2144755-94-0
Multi CAS
No
Molecular Formula
C6H9BrN2
Molecular Weight
189.050000
Exact Mass
187.994910
SMILES
C1=CC(=CN=C1)CN.Br
InChI
InChI=1S/C6H8N2.BrH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4,7H2;1H
InChIKey
GFXGGBIIIWGKKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.45
TPSA
38.91
LogP / Solubility
WLOGP
1.12
MLOGP
0.98
XLogP3
1.12
Consensus LogP
1.07
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
Azido-PEG5-CH2CO2-PFP
- CAS RN: 2144777-92-2
- Product Code: starshine_CAS2144777-92-2
- Purity/Analytical method: >99.0%
-
Cyclopenta[d]-1,2,3-oxathiazole-3(3aH)-carboxylic acid, tetrahydro-, 1,1-dimethylethyl ester, 2,2-dioxide, (3aS,6aR)-
- CAS RN: 2145122-45-6
- Product Code: SSC-102861
-
11-epi-morgroside V
- CAS RN: 2146088-12-0
- Product Code: starshine_CAS2146088-12-0
- Purity/Analytical method: >99.0%
-
Mogroside VI A
- CAS RN: 2146088-13-1
- Product Code: starshine_CAS2146088-13-1
- Purity/Analytical method: >99.0%
![CAS 2145122-45-6 Cyclopenta[d]-1,2,3-oxathiazole-3(3aH)-carboxylic acid, tetrahydro-, 1,1-dimethylethyl ester, 2,2-dioxide, (3aS,6aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2145122-45-6.png)
