CAS RN: 1428532-85-7
(5,6-dichloropyridin-3-yl)MethanaMine hydrochloride
- Product code: SSC-054091
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 | Hong Kong | Inquiry |
1428532-85-7 / (5,6-dichloro-3-pyridinyl)methanamine;hydrochloride
Basic Information
CAS
1428532-85-7
Multi CAS
No
Molecular Formula
C6H7Cl3N2
Molecular Weight
213.500000
Exact Mass
211.967481
SMILES
C1=C(C=NC(=C1Cl)Cl)CN.Cl
InChI
InChI=1S/C6H6Cl2N2.ClH/c7-5-1-4(2-9)3-10-6(5)8;/h1,3H,2,9H2;1H
InChIKey
AMIKXMITDFVLGU-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
49.4
TPSA
38.91
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2.27
Consensus LogP
2.18
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(2-(difluoromethyl)pyridin-4-yl)methanamine hydrochloride
- CAS RN: 1428532-89-1
- Product Code: SSC-054092
-
8-Bromo-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- CAS RN: 1428532-90-4
- Product Code: SSC-054093
-
-
8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- CAS RN: 1428532-93-7
- Product Code: starshine_CAS1428532-93-7
- Purity/Analytical method: >99.0%
-
tert-Butyl (2-(difluoroMethyl)pyridin-4-yl)MethylcarbaMate
- CAS RN: 1428532-94-8
- Product Code: SSC-054095
-
(2-broMo-5-fluoropyridin-3-yl)MethanaMine hydrochloride
- CAS RN: 1428532-95-9
- Product Code: SSC-054096
![CAS 1428532-90-4 8-Bromo-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1428532-90-4.gif)
![CAS 1428532-93-7 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1428532-93-7.gif)
