CAS RN: 1542029-69-5
2-Methylsulfanyl-5,6,7,8-tetrahydro-quinazoline-6-carboxylic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251219 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250204 | 1g | In stock | Shenzhen, Tianjin | Inquiry | |
| Batchno.20250620 | 250mg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry | |
| Batchno.20250501 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1542029-69-5
- Purity/Analytical Methods: >99.0%
1542029-69-5 / 2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
Basic Information
CAS
1542029-69-5
Multi CAS
No
Molecular Formula
C10H12N2O2S
Molecular Weight
224.280000
Exact Mass
224.061949
SMILES
CSC1=NC=C2CC(CCC2=N1)C(=O)O
InChI
InChI=1S/C10H12N2O2S/c1-15-10-11-5-7-4-6(9(13)14)2-3-8(7)12-10/h5-6H,2-4H2,1H3,(H,13,14)
InChIKey
NOWLDVQDBQMKND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.96
TPSA
63.08
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
1.3
Consensus LogP
1.3
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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