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CAS 185991-07-5 AMD 3465 (*Hexahydrobromide*) molecular structure lightbox
CAS RN: 185991-07-5

AMD 3465 (*Hexahydrobromide*)

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260607 1ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260329 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS185991-07-5
  • Purity/Analytical Methods: >99.0%
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185991-07-5 / N-(pyridin-2-ylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine;hexahydrobromide

Standard CAS: 185991-07-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185991-07-5
Multi CAS
No
Molecular Formula
C24H44Br6N6
Molecular Weight
896.100000
Exact Mass
895.866620
SMILES
C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CNCC3=CC=CC=N3.Br.Br.Br.Br.Br.Br
InChI
InChI=1S/C24H38N6.6BrH/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30;;;;;;/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2;6*1H
InChIKey
ARHBIBDGWDRBJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
186.27
TPSA
64.25

LogP / Solubility

WLOGP
5.2
MLOGP
4.66
XLogP3
5.2
Consensus LogP
5.02
Log S (ESOL)
-8.52
Class (ESOL)
Insoluble
Log S (Ali)
-10.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5

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