CAS RN: 1818393-16-6
AA-115 (APG-115)
Product Availability
Choose a grade to view its available package options.
12 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260523 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250916 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260521 | 10mg / 25mg / 50mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251019 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250503 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260127 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250915 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260608 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1818393-16-6
- Purity/Analytical Methods: >99.0%
1818393-16-6 / AA-115 (APG-115)
Basic Information
CAS
1818393-16-6
Multi CAS
No
Molecular Formula
C34H38Cl2FN3O4
Molecular Weight
642.600000
Exact Mass
641.222340
SMILES
CCN1[C@H]([C@@H]([C@]2(C13CCCCC3)C4=C(C=C(C=C4)Cl)NC2=O)C5=C(C(=CC=C5)Cl)F)C(=O)NC67CCC(CC6)(CC7)C(=O)O
InChI
InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31?,32?,34+/m0/s1
InChIKey
YJCZPJQGFSSFOL-MNZPCBJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
166.54
TPSA
98.74
LogP / Solubility
WLOGP
6.81
MLOGP
6.04
XLogP3
3.6
Consensus LogP
5.48
Log S (ESOL)
-7.98
Class (ESOL)
Insoluble
Log S (Ali)
-9.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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