CAS RN: 185669-79-8
CHEMBRDG-BB 5552132
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.20260415 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS185669-79-8
- Purity/Analytical Methods: >99.0%
185669-79-8 / 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
Basic Information
CAS
185669-79-8
Multi CAS
No
Molecular Formula
C19H19NO
Molecular Weight
277.400000
Exact Mass
277.146664
SMILES
COC1=CC=C(C=C1)CNCC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H19NO/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,20H,13-14H2,1H3
InChIKey
GIFYKGIODMXYNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
87.49
TPSA
21.26
LogP / Solubility
WLOGP
4.14
MLOGP
3.65
XLogP3
4.1
Consensus LogP
3.96
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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