CAS RN: 1795021-05-4
2,3,5,6-tetradeuterio-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250927 | 1mg / 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1795021-05-4
- Purity/Analytical Methods: >99.0%
1795021-05-4 / 2,3,5,6-tetradeuterio-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
Basic Information
CAS
1795021-05-4
Multi CAS
No
Molecular Formula
C10H14N2O4S2
Molecular Weight
294.400000
Exact Mass
294.064606
SMILES
[2H]C1=C(C(=C(C(=C1N2CCCCS2(=O)=O)[2H])[2H])S(=O)(=O)N)[2H]
InChI
InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)/i3D,4D,5D,6D
InChIKey
HMHVCUVYZFYAJI-LNFUJOGGSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.18
TPSA
97.54
LogP / Solubility
WLOGP
0.26
MLOGP
0.24
XLogP3
0.1
Consensus LogP
0.2
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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