CAS RN: 856562-93-1
(1R)-1-(2-METHYLPHENYL)PROPYLAMINE-HCl
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.20260122 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS856562-93-1
- Purity/Analytical Methods: >99.0%
856562-93-1 / (1S)-1-(2-methylphenyl)propan-1-amine;hydrochloride
Basic Information
CAS
856562-93-1
Multi CAS
Yes
Molecular Formula
C10H16CLN
Molecular Weight
185.690000
Exact Mass
185.097127
InChI
InChI=1S/C10H15N.ClH/c1-3-10(11)9-7-5-4-6-8(9)2;/h4-7,10H,3,11H2,1-2H3;1H/t10-;/m0./s1
InChIKey
ZRFSFSDKCOAXNJ-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.65
TPSA
26.02
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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