CAS RN: 16503-32-5
Brevilin A
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250410 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260511 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260410 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251109 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260316 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250117 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250314 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260417 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS16503-32-5
- Purity/Analytical Methods: >99.0%
16503-32-5 / [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] (Z)-2-methylbut-2-enoate
Basic Information
CAS
16503-32-5
Multi CAS
No
Molecular Formula
C20H26O5
Molecular Weight
346.400000
Exact Mass
346.178024
SMILES
C/C=C(/C)\C(=O)O[C@H]1[C@@H]2[C@@H](C(=O)O[C@@H]2C[C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)C
InChI
InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6-/t11-,12+,13+,14-,16-,17+,20+/m1/s1
InChIKey
KUPPZVXLWANEJJ-UXPPPGSFSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
91.37
TPSA
69.67
LogP / Solubility
WLOGP
2.84
MLOGP
2.52
XLogP3
2.3
Consensus LogP
2.55
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501
