CAS RN: 165950-84-5
(S)-5,6,7,8-Tetrahydro-6-(propylamino)-1-naphthalenol hydrobromide
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.20260131 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS165950-84-5
- Purity/Analytical Methods: >99.0%
165950-84-5 / (6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
Basic Information
CAS
165950-84-5
Multi CAS
No
Molecular Formula
C13H20BrNO
Molecular Weight
286.210000
Exact Mass
285.072830
SMILES
CCCN[C@H]1CCC2=C(C1)C=CC=C2O.Br
InChI
InChI=1S/C13H19NO.BrH/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15;/h3-5,11,14-15H,2,6-9H2,1H3;1H/t11-;/m0./s1
InChIKey
HUWWFOPCZSIFKK-MERQFXBCSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.54
TPSA
32.26
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
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)
-2.46
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
-
![CAS 165963-71-3 2-[2-[2-T-BOC-AMINOETHOXY]ETHOXY]ETHYL BROMIDE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-[2-[2-T-BOC-AMINOETHOXY]ETHOXY]ETHYL BROMIDE
- CAS RN: 165963-71-3
- Product Code: SSC-072475
-
3,4-O-dimethylcedrusin
- CAS RN: 166021-14-3
- Product Code: starshine_CAS166021-14-3
- Purity/Analytical method: >99.0%
-
-
TERT-BUTYL (3S)-3-AMINO-5-METHYLHEXANOATE, 97
- CAS RN: 166023-30-9
- Product Code: starshine_CAS166023-30-9
- Purity/Analytical method: >99.0%
-
1,1-DIMETHYLETHYL (3R)-3-AMINO-4-PHENYLBUTANOATE
- CAS RN: 166023-31-0
- Product Code: SSC-072502
-
S-4-bromobenzylglutathione cyclopentyl diester
- CAS RN: 166038-00-2
- Product Code: starshine_CAS166038-00-2
- Purity/Analytical method: >99.0%
![CAS 165963-71-3 2-[2-[2-T-BOC-AMINOETHOXY]ETHOXY]ETHYL BROMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0422455.gif)
