CAS RN: 518-17-2
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11 package records9 with current stock5 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
| Batchno.20250110 |
1g |
In stock |
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| Batchno.20250903 |
200mg |
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| Batchno.20250518 |
1ml |
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| Batchno.20251221 |
100g |
In stock |
Shanghai, Shandong | | Inquiry |
| Batchno.20251007 |
1g |
In stock |
Shanghai, Shandong, Guangdong, Chongqing, Hebei | | Inquiry |
| Batchno.20260222 |
25g |
In stock |
Shanghai, Shandong, Hebei | | Inquiry |
| Batchno.20260424 |
500g |
Out of stock |
| 8-10 business days | Inquiry |
| Batchno.20251009 |
50mg |
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| Batchno.20250911 |
5g |
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| Batchno.20260516 |
20mg |
In stock |
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| Batchno.20250320 |
20mg |
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Product code:
starshine_CAS518-17-2
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Purity/Analytical Methods:
>99.0%
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518-17-2 / 21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
Standard CAS: 518-17-2
Multi CAS: Yes
Basic Information
CAS
518-17-2
Multi CAS
Yes
Molecular Formula
C19H17N3O
Molecular Weight
303.400000
Exact Mass
303.137162
InChI
InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3
InChIKey
TXDUTHBFYKGSAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.21
H-bond acceptors
2
H-bond donors
1
Molar refractivity
90.63
TPSA
39.34
LogP / Solubility
WLOGP
3.31
MLOGP
2.93
XLogP3
3.1
Consensus LogP
3.11
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4