CAS RN: 30356-08-2
(R)-1-(4-METHOXYBENZYL)-1 2 3 4 5 6 7 8&
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.20250105 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS30356-08-2
- Purity/Analytical Methods: >99.0%
30356-08-2 / 1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline
Basic Information
CAS
30356-08-2
Multi CAS
Yes
Molecular Formula
C17H23NO
Molecular Weight
257.370000
Exact Mass
257.177964
InChI
InChI=1S/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3
InChIKey
NPEVCJZMQGZNET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.6
TPSA
21.26
LogP / Solubility
WLOGP
3.47
MLOGP
3.06
XLogP3
2.9
Consensus LogP
3.14
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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