CAS RN: 1256565-36-2
PTC299
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260523 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251122 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250915 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250801 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251129 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250912 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260210 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1256565-36-2
- Purity/Analytical Methods: >99.0%
1256565-36-2 / (4-chlorophenyl) (1S)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
Basic Information
CAS
1256565-36-2
Multi CAS
No
Molecular Formula
C25H20Cl2N2O3
Molecular Weight
467.300000
Exact Mass
466.085098
SMILES
COC1=CC=C(C=C1)[C@H]2C3=C(CCN2C(=O)OC4=CC=C(C=C4)Cl)C5=C(N3)C=CC(=C5)Cl
InChI
InChI=1S/C25H20Cl2N2O3/c1-31-18-7-2-15(3-8-18)24-23-20(21-14-17(27)6-11-22(21)28-23)12-13-29(24)25(30)32-19-9-4-16(26)5-10-19/h2-11,14,24,28H,12-13H2,1H3/t24-/m0/s1
InChIKey
SRSHBZRURUNOSM-DEOSSOPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
126.03
TPSA
54.56
LogP / Solubility
WLOGP
6.63
MLOGP
5.87
XLogP3
6.3
Consensus LogP
6.27
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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