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CAS 1346601-74-8 1-(3-Methoxyphenyl)-2-[[Methyl(phenylMethyl)aMino]Methyl]-cyclohexanol molecular structure lightbox
CAS RN: 1346601-74-8

1-(3-Methoxyphenyl)-2-[[Methyl(phenylMethyl)aMino]Methyl]-cyclohexanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260212 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1346601-74-8
  • Purity/Analytical Methods: >99.0%
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1346601-74-8 / cis-(1R,2R)-2-[[benzyl(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol

Standard CAS: 1346601-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1346601-74-8
Multi CAS
No
Molecular Formula
C22H29NO2
Molecular Weight
342.500000
Exact Mass
342.238659
SMILES
[2H]C([2H])([2H])N(C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O)CC3=CC=CC=C3
InChI
InChI=1S/C22H29NO2/c1-23(16-18-9-4-3-5-10-18)17-20-11-6-7-14-22(20,24)19-12-8-13-21(15-19)25-2/h3-5,8-10,12-13,15,20,24H,6-7,11,14,16-17H2,1-2H3/t20-,22+/m1/s1/i1D3
InChIKey
BDLHYNRDCFWMAA-GDJAVXQGSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
101.62
TPSA
32.7

LogP / Solubility

WLOGP
4.21
MLOGP
3.72
XLogP3
4.1
Consensus LogP
4.01
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble

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)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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