CAS RN: 1794768-22-1
Diucen-d7
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.20250525 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1794768-22-1
- Purity/Analytical Methods: >99.0%
1794768-22-1 / 6-chloro-3-[[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]sulfanylmethyl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Basic Information
CAS
1794768-22-1
Multi CAS
No
Molecular Formula
C15H14ClN3O4S3
Molecular Weight
439.000000
Exact Mass
438.027434
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])SCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N)[2H])[2H]
InChI
InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)/i1D,2D,3D,4D,5D,8D2
InChIKey
NDTSRXAMMQDVSW-LINRZHOGSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
103.67
TPSA
118.69
LogP / Solubility
WLOGP
2.43
MLOGP
2.17
XLogP3
1.7
Consensus LogP
2.1
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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