CAS RN: 207556-62-5
DPP 728
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.20250804 | 1mg / 2.5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS207556-62-5
- Purity/Analytical Methods: >99.0%
207556-62-5 / 6-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile;dihydrochloride
Basic Information
CAS
207556-62-5
Multi CAS
No
Molecular Formula
C15H20Cl2N6O
Molecular Weight
371.300000
Exact Mass
370.107565
SMILES
C1C[C@H](N(C1)C(=O)CNCCNC2=NC=C(C=C2)C#N)C#N.Cl.Cl
InChI
InChI=1S/C15H18N6O.2ClH/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17;;/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20);2*1H/t13-;;/m0../s1
InChIKey
VNACOBVZDCLAEV-GXKRWWSZSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
95.16
TPSA
104.84
LogP / Solubility
WLOGP
1.31
MLOGP
1.18
XLogP3
1.31
Consensus LogP
1.27
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05
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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