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CAS 76135-31-4 8-OH-DPAT·hydrobromide molecular structure lightbox
CAS RN: 76135-31-4

8-OH-DPAT·hydrobromide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250405 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS76135-31-4
  • Purity/Analytical Methods: >99.0%
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76135-31-4 / 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide

Standard CAS: 76135-31-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76135-31-4
Multi CAS
Yes
Molecular Formula
BC16H26ORn
Molecular Weight
328.290000
Exact Mass
327.119780
InChI
InChI=1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H
InChIKey
BATPBOZTBNNDLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
86.4
TPSA
23.47

LogP / Solubility

WLOGP
3.95
MLOGP
3.49
XLogP3
3.95
Consensus LogP
3.8
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

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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