![CAS 92206-54-7 1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/92206-54-7.gif)
CAS RN: 92206-54-7
1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS92206-54-7
- Purity/Analytical Methods: >99.0%
92206-54-7 / 6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
Basic Information
CAS
92206-54-7
Multi CAS
Yes
Molecular Formula
C19H25NOS
Molecular Weight
315.500000
Exact Mass
315.165686
InChI
InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3
InChIKey
KFQYTPMOWPVWEJ-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
93.81
TPSA
23.47
LogP / Solubility
WLOGP
4.27
MLOGP
3.77
XLogP3
4.9
Consensus LogP
4.31
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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