![CAS 1940-82-5 Metaraminol Related Compound B (25 mg) (2-Amino-1-[3-(benzyloxy)phenyl]propan-1-ol) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1940-82-5.gif)
CAS RN: 1940-82-5
Metaraminol Related Compound B (25 mg) (2-Amino-1-[3-(benzyloxy)phenyl]propan-1-ol)
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.20250822 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1940-82-5
- Purity/Analytical Methods: >99.0%
1940-82-5 / 2-amino-1-(3-phenylmethoxyphenyl)propan-1-ol
Basic Information
CAS
1940-82-5
Multi CAS
No
Molecular Formula
C16H19NO2
Molecular Weight
257.330000
Exact Mass
257.141579
SMILES
CC(C(C1=CC(=CC=C1)OCC2=CC=CC=C2)O)N
InChI
InChI=1S/C16H19NO2/c1-12(17)16(18)14-8-5-9-15(10-14)19-11-13-6-3-2-4-7-13/h2-10,12,16,18H,11,17H2,1H3
InChIKey
KUROJUPTEJDZJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.83
TPSA
55.48
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
2
Consensus LogP
2.33
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
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
Leadlikeness
Yes
Synthetic Accessibility
2.5
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