![CAS 949034-65-5 2,6-Dihydro-4H-thieno[3,4-c]pyrazole-3-carboxylic acid 5,5-dioxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/949034-65-5.gif)
CAS RN: 949034-65-5
2,6-Dihydro-4H-thieno[3,4-c]pyrazole-3-carboxylic acid 5,5-dioxide
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.20250318 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS949034-65-5
- Purity/Analytical Methods: >99.0%
949034-65-5 / 5,5-dioxo-4,6-dihydro-1H-thieno[3,4-d]pyrazole-3-carboxylic acid
Basic Information
CAS
949034-65-5
Multi CAS
No
Molecular Formula
C6H6N2O4S
Molecular Weight
202.190000
Exact Mass
202.004828
InChI
InChI=1S/C6H6N2O4S/c9-6(10)5-3-1-13(11,12)2-4(3)7-8-5/h1-2H2,(H,7,8)(H,9,10)
InChIKey
WOCPXJNFAGSZGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.87
TPSA
100.12
LogP / Solubility
WLOGP
-0.46
MLOGP
-0.41
XLogP3
-1.1
Consensus LogP
-0.66
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
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)
-4.28
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
-
-
6-(4-Hydroxy-3-methylphenyl)-2-methylhept-2-en-4-one
- CAS RN: 949081-05-4
- Product Code: starshine_CAS949081-05-4
- Purity/Analytical method: >99.0%
-
8-Hydroxy-ar-turmerone
- CAS RN: 949081-09-8
- Product Code: starshine_CAS949081-09-8
- Purity/Analytical method: >99.0%
-
METHYL 4-METHYLPIPERIDINE-4-CARBOXYLATE HYDROCHLORIDE
- CAS RN: 949081-43-0
- Product Code: SSC-210107
-
(RS)-4-(3-MethylaMino-1-thiophen-2-yl-propyl)-naphthalen-1-ol
- CAS RN: 949095-98-1
- Product Code: SSC-210111
-
