CAS RN: 1416714-02-7
(5-broMo-3-chloropyridin-2-yl)MethanaMine hydrochloride
- Product code: SSC-052206
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1416714-02-7 / (5-bromo-3-chloro-2-pyridinyl)methanamine;hydrochloride
Basic Information
CAS
1416714-02-7
Multi CAS
No
Molecular Formula
C6H7BrCl2N2
Molecular Weight
257.940000
Exact Mass
255.916970
SMILES
C1=C(C=NC(=C1Cl)CN)Br.Cl
InChI
InChI=1S/C6H6BrClN2.ClH/c7-4-1-5(8)6(2-9)10-3-4;/h1,3H,2,9H2;1H
InChIKey
HBKXGUMEKUXZMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.09
TPSA
38.91
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
2.38
Consensus LogP
2.29
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
(3-chloro-5-fluoropyridin-2-yl)methanamine hydrochloride
- CAS RN: 1416714-11-8
- Product Code: SSC-052208
-
5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-amine
- CAS RN: 1416714-23-2
- Product Code: starshine_CAS1416714-23-2
- Purity/Analytical method: >99.0%
-
7-Chloro-8-formylisoquinoline, 7-Chloro-8-formyl-2-azanaphthalene
- CAS RN: 1416714-26-5
- Product Code: SSC-052210
-
3-methylisoquinoline-8-carbaldehyde
- CAS RN: 1416714-30-1
- Product Code: starshine_CAS1416714-30-1
- Purity/Analytical method: >99.0%
-
6-bromo-2-chloro-1-cyclopropyl-1H-benzo[d]imidazole
- CAS RN: 1416714-37-8
- Product Code: SSC-052211
![CAS 1416714-23-2 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416714-23-2.gif)
![CAS 1416714-37-8 6-bromo-2-chloro-1-cyclopropyl-1H-benzo[d]imidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416714-37-8.gif)