![CAS 160600-22-6 ethyl 5,7-dihydroxyisothiazolo[4,3-d]pyrimidine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/160600-22-6.gif)
CAS RN: 160600-22-6
ethyl 5,7-dihydroxyisothiazolo[4,3-d]pyrimidine-3-carboxylate
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.20251108 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS160600-22-6
- Purity/Analytical Methods: >99.0%
160600-22-6 / ethyl 5,7-dioxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylate
Basic Information
CAS
160600-22-6
Multi CAS
No
Molecular Formula
C8H7N3O4S
Molecular Weight
241.230000
Exact Mass
241.015727
SMILES
CCOC(=O)C1=C2C(=NS1)C(=O)NC(=O)N2
InChI
InChI=1S/C8H7N3O4S/c1-2-15-7(13)5-3-4(11-16-5)6(12)10-8(14)9-3/h2H2,1H3,(H2,9,10,12,14)
InChIKey
ZGYBOXFRGNDLST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
56.82
TPSA
104.91
LogP / Solubility
WLOGP
-0.15
MLOGP
-0.13
XLogP3
0.4
Consensus LogP
0.04
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
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
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-Pyridinecarbonitrile,3-amino-6-ethynyl-(9CI)
- CAS RN: 160602-48-2
- Product Code: starshine_CAS160602-48-2
- Purity/Analytical method: >99.0%
-
NEURODYE DI-2-ANEPEQ
- CAS RN: 160605-94-7
- Product Code: starshine_CAS160605-94-7
- Purity/Analytical method: >99.0%
-
1,4,6-Trihydroxy-5-methoxy-7-prenylxanthone
- CAS RN: 160623-47-2
- Product Code: starshine_CAS160623-47-2
- Purity/Analytical method: >99.0%
-
PEG3-bis-(ethyl phosphonate)
- CAS RN: 160625-24-1
- Product Code: starshine_CAS160625-24-1
- Purity/Analytical method: >99.0%
-
