CAS RN: 1246817-20-8
Benzydamine-d6 Hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250709 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1246817-20-8
- Purity/Analytical Methods: >99.0%
1246817-20-8 / 3-(1-benzylindazol-3-yl)oxy-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
Basic Information
CAS
1246817-20-8
Multi CAS
No
Molecular Formula
C19H24ClN3O
Molecular Weight
351.900000
Exact Mass
351.198451
SMILES
[2H]C([2H])([2H])N(CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3)C([2H])([2H])[2H].Cl
InChI
InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H/i1D3,2D3;
InChIKey
HNNIWKQLJSNAEQ-TXHXQZCNSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
101.19
TPSA
30.29
LogP / Solubility
WLOGP
3.84
MLOGP
3.39
XLogP3
3.84
Consensus LogP
3.69
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble
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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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