![CAS 623565-07-1 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde dioxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/623565-07-1.gif)
CAS RN: 623565-07-1
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde dioxide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251028 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS623565-07-1
- Purity/Analytical Methods: >99.0%
623565-07-1 / 5,5-dioxo-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde
Basic Information
CAS
623565-07-1
Multi CAS
Yes
Molecular Formula
C7H8N2O3S
Molecular Weight
200.220000
Exact Mass
200.025563
InChI
InChI=1S/C7H8N2O3S/c10-4-6-3-7-5-13(11,12)2-1-9(7)8-6/h3-4H,1-2,5H2
InChIKey
XHIIEHUJWFAWJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
45.11
TPSA
69.03
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.33
XLogP3
-1.1
Consensus LogP
-0.6
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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