CAS RN: 82005-12-7
10Z-HYMENIALDISINE
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.20251101 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS82005-12-7
- Purity/Analytical Methods: >99.0%
82005-12-7 / (4Z)-4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
Basic Information
CAS
82005-12-7
Multi CAS
Yes
Molecular Formula
BC11H10O2Rn5
Molecular Weight
324.130000
Exact Mass
323.001790
InChI
InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
InChIKey
ATBAETXFFCOZOY-DAXSKMNVSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.18
H-bond acceptors
4
H-bond donors
4
Molar refractivity
72.13
TPSA
112.37
LogP / Solubility
WLOGP
0.07
MLOGP
0.07
XLogP3
-0.7
Consensus LogP
-0.19
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
