![CAS 296262-16-3 (5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLSULFANYL)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/296262-16-3.png)
CAS RN: 296262-16-3
(5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLSULFANYL)-ACETIC ACID
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.20260602 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS296262-16-3
- Purity/Analytical Methods: >99.0%
296262-16-3 / 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
Basic Information
CAS
296262-16-3
Multi CAS
No
Molecular Formula
C10H10N2O2S2
Molecular Weight
254.300000
Exact Mass
254.018370
InChI
InChI=1S/C10H10N2O2S2/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKey
VSOXJMQZOPRPGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.25
TPSA
63.08
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.8
Consensus LogP
2.49
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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