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CAS 1246814-76-5 Dapoxetine-d6 Hydrochloride molecular structure lightbox
CAS RN: 1246814-76-5

Dapoxetine-d6 Hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251216 1mg / 10mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1246814-76-5
  • Purity/Analytical Methods: >99.0%
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1246814-76-5 / (1S)-3-naphthalen-1-yloxy-1-phenyl-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride

Standard CAS: 1246814-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246814-76-5
Multi CAS
No
Molecular Formula
C21H24ClNO
Molecular Weight
347.900000
Exact Mass
347.192303
SMILES
[2H]C([2H])([2H])N([C@@H](CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3)C([2H])([2H])[2H].Cl
InChI
InChI=1S/C21H23NO.ClH/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21;/h3-14,20H,15-16H2,1-2H3;1H/t20-;/m0./s1/i1D3,2D3;
InChIKey
IHWDIQRWYNMKFM-RURDCJKXSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
104.18
TPSA
12.47

LogP / Solubility

WLOGP
5.33
MLOGP
4.71
XLogP3
5.33
Consensus LogP
5.12
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.03
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)
-1.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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