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CAS 68593-96-4 5-hydroxy-2-N,N-dipropylaminotetralin molecular structure lightbox
CAS RN: 68593-96-4

5-hydroxy-2-N,N-dipropylaminotetralin

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260114 10mg In stock Inquiry
Batchno.20251204 1mg In stock Inquiry
Batchno.20260420 25mg In stock Inquiry
Batchno.20250915 5mg In stock Inquiry
  • Product code: starshine_CAS68593-96-4
  • Purity/Analytical Methods: >99.0%
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68593-96-4 / 6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

Standard CAS: 68593-96-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68593-96-4
Multi CAS
Yes
Molecular Formula
C16H25NO
Molecular Weight
247.380000
Exact Mass
247.193614
InChI
InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
InChIKey
MDBWEQVKJDMEMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.07
TPSA
23.47

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
4.1
Consensus LogP
3.48
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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