CAS RN: 2568974-02-5
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2568974-02-5
- Purity/Analytical Methods: >99.0%
2568974-02-5 / N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-2-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-4-(dimethylcarbamoyl)cyclohexyl]oxamide
Basic Information
CAS
2568974-02-5
Multi CAS
No
Molecular Formula
C23H25Cl2N7O5
Molecular Weight
550.400000
Exact Mass
549.129422
SMILES
CN(C)C(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)C(=O)NC2=NC=C(C=C2)Cl)NC(=O)C(=O)NC3=NC=C(C=C3)Cl
InChI
InChI=1S/C23H25Cl2N7O5/c1-32(2)23(37)12-3-6-15(28-19(33)21(35)30-17-7-4-13(24)10-26-17)16(9-12)29-20(34)22(36)31-18-8-5-14(25)11-27-18/h4-5,7-8,10-12,15-16H,3,6,9H2,1-2H3,(H,28,33)(H,29,34)(H,26,30,35)(H,27,31,36)/t12-,15-,16+/m0/s1
InChIKey
NHMSEMAYKRRLDL-VBNZEHGJSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
135.65
TPSA
162.49
LogP / Solubility
WLOGP
1.22
MLOGP
1.11
XLogP3
1.6
Consensus LogP
1.31
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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