CAS RN: 18179-67-4
Sulfamethoxydiazine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250730 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS18179-67-4
- Purity/Analytical Methods: >99.0%
18179-67-4 / sodium (4-aminophenyl)sulfonyl-(5-methoxypyrimidin-2-yl)azanide
Basic Information
CAS
18179-67-4
Multi CAS
No
Molecular Formula
C11H11N4NaO3S
Molecular Weight
302.290000
Exact Mass
302.044956
SMILES
COC1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+]
InChI
InChI=1S/C11H11N4O3S.Na/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10;/h2-7H,12H2,1H3;/q-1;+1
InChIKey
LBCSHRNIIWKVRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
69.64
TPSA
109.27
LogP / Solubility
WLOGP
-1.53
MLOGP
-1.34
XLogP3
-1.53
Consensus LogP
-1.47
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-5.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 18184-75-3 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/18184-75-3.gif)
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