CAS RN: 154030-29-2
Tadalafil Impurity 12
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.20250502 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS154030-29-2
- Purity/Analytical Methods: >99.0%
154030-29-2 / 2-(1,3-benzodioxol-4-yl)-2-hydroxyacetic acid
Basic Information
CAS
154030-29-2
Multi CAS
No
Molecular Formula
C9H8O5
Molecular Weight
196.160000
Exact Mass
196.037173
SMILES
C1OC2=CC=CC(=C2O1)C(C(=O)O)O
InChI
InChI=1S/C9H8O5/c10-7(9(11)12)5-2-1-3-6-8(5)14-4-13-6/h1-3,7,10H,4H2,(H,11,12)
InChIKey
GYQUDXGDTSAZSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.16
TPSA
75.99
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
0.6
Consensus LogP
0.53
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
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)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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