CAS RN: 2230731-99-2
KDOAM-25
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.20251205 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2230731-99-2
- Purity/Analytical Methods: >99.0%
2230731-99-2 / 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide
Basic Information
CAS
2230731-99-2
Multi CAS
No
Molecular Formula
C15H25N5O2
Molecular Weight
307.390000
Exact Mass
307.200825
SMILES
CCN(CCN(C)C)C(=O)CNCC1=NC=CC(=C1)C(=O)N
InChI
InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
InChIKey
PNFMVADNCOGWME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.27
TPSA
91.56
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.27
XLogP3
-0.9
Consensus LogP
-0.5
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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