CAS RN: 1026791-61-6
Org-26576
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.20251002 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1026791-61-6
- Purity/Analytical Methods: >99.0%
1026791-61-6 / (7S)-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-2-one
5H,7H-Pyrido[3,2-f]pyrrolo[2,1-c][1,4]oxazepin-5-one, 8,9,9a,10-tetrahydro-, (9aS)-;5H,7H-Pyrido[3,2-f]pyrrolo[2,1-c][1,4]oxazepin-5-one, 8,9,9a,10-tetrahydro-, (9aS)- | BRB79161
Basic Information
CAS
1026791-61-6
Multi CAS
Yes
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
SMILES
C1C[C@H]2COC3=C(C=CC=N3)C(=O)N2C1
InChI
InChI=1S/C11H12N2O2/c14-11-9-4-1-5-12-10(9)15-7-8-3-2-6-13(8)11/h1,4-5,8H,2-3,6-7H2/t8-/m0/s1
InChIKey
FIKUEZUFASUKAH-QMMMGPOBSA-N
Synonyms
5H,7H-Pyrido[3,2-f]pyrrolo[2,1-c][1,4]oxazepin-5-one, 8,9,9a,10-tetrahydro-, (9aS)-;5H,7H-Pyrido[3,2-f]pyrrolo[2,1-c][1,4]oxazepin-5-one, 8,9,9a,10-tetrahydro-, (9aS)-
BRB79161
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
3
Molar refractivity
53.79
TPSA
42.43
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
0.9
Consensus LogP
0.98
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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