CAS RN: 85127-50-0
(3-Methylpyridin-4-yl)MethanaMine dihydrochloride
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.20260310 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS85127-50-0
- Purity/Analytical Methods: >99.0%
85127-50-0 / (3-methyl-4-pyridinyl)methanamine;dihydrochloride
Basic Information
CAS
85127-50-0
Multi CAS
No
Molecular Formula
C7H12CL2N2
Molecular Weight
195.090000
Exact Mass
194.037754
InChI
InChI=1S/C7H10N2.2ClH/c1-6-5-9-3-2-7(6)4-8;;/h2-3,5H,4,8H2,1H3;2*1H
InChIKey
CCKLJVPDSMISSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.36
TPSA
38.91
LogP / Solubility
WLOGP
1.69
MLOGP
1.49
XLogP3
1.69
Consensus LogP
1.62
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately 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)
-2.71
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
-
(+)-B-METHOXYDIISOPINOCAMPHEYLBORANE
- CAS RN: 85134-98-1
- Product Code: starshine_CAS85134-98-1
- Purity/Analytical method: >99.0%
-
3,6,9,12,15-pentaoxaheptadecane-1,17-diyl diacrylate
- CAS RN: 85136-58-9
- Product Code: SSC-193273
-
2`,7`-Bis(2-carboxyethyl)-5(6)-carboxyfluorescein
- CAS RN: 85138-49-4
- Product Code: starshine_CAS85138-49-4
- Purity/Analytical method: >99.0%
-
Ethanol, 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-
- CAS RN: 85141-94-2
- Product Code: SSC-193298
-
LITHIUM CHLORIDE HYDRATE
- CAS RN: 85144-11-2
- Product Code: starshine_CAS85144-11-2
- Purity/Analytical method: >99.0%
-
![CAS 85141-94-2 Ethanol, 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/85141-94-2.gif)
