CAS RN: 1453-97-0
5-BENZYLOXYGRAMINE
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.20250812 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1453-97-0
- Purity/Analytical Methods: >99.0%
1453-97-0 / N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
Basic Information
CAS
1453-97-0
Multi CAS
No
Molecular Formula
C18H20N2O
Molecular Weight
280.400000
Exact Mass
280.157563
SMILES
CN(C)CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
InChIKey
POTVAILTNPOQJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
86.46
TPSA
28.26
LogP / Solubility
WLOGP
3.81
MLOGP
3.36
XLogP3
3.4
Consensus LogP
3.52
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
