CAS RN: 93601-86-6
(S)-1,2,3,4-Tetrahydro-5-methoxy-N-propyl-2-naphthalenamine hydrochloride
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.20260127 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS93601-86-6
- Purity/Analytical Methods: >99.0%
93601-86-6 / 5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
Basic Information
CAS
93601-86-6
Multi CAS
Yes
Molecular Formula
C14H22CLNO
Molecular Weight
255.780000
Exact Mass
255.138992
InChI
InChI=1S/C14H21NO.ClH/c1-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16-2;/h4-6,12,15H,3,7-10H2,1-2H3;1H/t12-;/m0./s1
InChIKey
ZOKTXMBBTXQAIC-YDALLXLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.35
TPSA
21.26
LogP / Solubility
WLOGP
2.97
MLOGP
2.62
XLogP3
2.97
Consensus LogP
2.85
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
-
-
Teicoplanin A3-1
- CAS RN: 93616-27-4
- Product Code: starshine_CAS93616-27-4
- Purity/Analytical method: >99.0%
-
