CAS RN: 1448723-60-1
UM729
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260304 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250812 | 250mg | Out of stock | Inquiry | |
| Batchno.20250825 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250815 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251129 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1448723-60-1
- Purity/Analytical Methods: >99.0%
1448723-60-1 / methyl 4-(3-piperidin-1-ylpropylamino)-9H-pyrimido[4,5-b]indole-7-carboxylate
Basic Information
CAS
1448723-60-1
Multi CAS
No
Molecular Formula
C20H25N5O2
Molecular Weight
367.400000
Exact Mass
367.200825
SMILES
COC(=O)C1=CC2=C(C=C1)C3=C(N2)N=CN=C3NCCCN4CCCCC4
InChI
InChI=1S/C20H25N5O2/c1-27-20(26)14-6-7-15-16(12-14)24-19-17(15)18(22-13-23-19)21-8-5-11-25-9-3-2-4-10-25/h6-7,12-13H,2-5,8-11H2,1H3,(H2,21,22,23,24)
InChIKey
SIBCJMZHJZDUNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
13
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
106.13
TPSA
83.14
LogP / Solubility
WLOGP
3.19
MLOGP
2.82
XLogP3
3.4
Consensus LogP
3.14
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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