CAS RN: 1215635-13-4
N-Acetyl Dapsone-D8 (Major)
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.20250608 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1215635-13-4
- Purity/Analytical Methods: >99.0%
1215635-13-4 / N-[4-(4-amino-2,3,5,6-tetradeuteriophenyl)sulfonyl-2,3,5,6-tetradeuteriophenyl]acetamide
Basic Information
CAS
1215635-13-4
Multi CAS
No
Molecular Formula
C14H14N2O3S
Molecular Weight
298.390000
Exact Mass
298.122727
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)C2=C(C(=C(C(=C2[2H])[2H])NC(=O)C)[2H])[2H])[2H]
InChI
InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)/i2D,3D,4D,5D,6D,7D,8D,9D
InChIKey
WDOCBIHNYYQINH-NHNJRVLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.05
TPSA
89.26
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
0.9
Consensus LogP
1.59
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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