CAS RN: 1777807-64-3
ZINC03129319
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.20250330 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1777807-64-3
- Purity/Analytical Methods: >99.0%
1777807-64-3 / ZINC03129319
Basic Information
CAS
1777807-64-3
Multi CAS
No
Molecular Formula
C24H14N2O6S2
Molecular Weight
490.500000
Exact Mass
490.029329
SMILES
C1[C@@H]2C(=O)N3[C@H](CSC34C(=O)C5=CC=CC=C5C4=O)C(=O)N2C6(S1)C(=O)C7=CC=CC=C7C6=O
InChI
InChI=1S/C24H14N2O6S2/c27-17-11-5-1-2-6-12(11)18(28)23(17)25-15(9-33-23)22(32)26-16(21(25)31)10-34-24(26)19(29)13-7-3-4-8-14(13)20(24)30/h1-8,15-16H,9-10H2/t15-,16-/m1/s1
InChIKey
GBYAWPJNMFAKDJ-HZPDHXFCSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.25
H-bond acceptors
8
Molar refractivity
121.85
TPSA
108.9
LogP / Solubility
WLOGP
1.44
MLOGP
1.3
XLogP3
2.4
Consensus LogP
1.71
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-4.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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