CAS RN: 136194-77-9
GO 6976
Product Availability
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12 package records11 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250514 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250615 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250329 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250522 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260701 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250128 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251120 | 5mg | In stock | Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS136194-77-9
- Purity/Analytical Methods: >99.0%
136194-77-9 / 3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile
Basic Information
CAS
136194-77-9
Multi CAS
No
Molecular Formula
C24H18N4O
Molecular Weight
378.400000
Exact Mass
378.148061
SMILES
CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=O
InChI
InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
InChIKey
VWVYILCFSYNJHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
114.83
TPSA
62.75
LogP / Solubility
WLOGP
4.6
MLOGP
4.07
XLogP3
3.2
Consensus LogP
3.96
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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