![CAS 60583-39-3 Brucine Sulfate Heptahydrate [for Nitrate Analysis] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b0672-jpgcontextbwfzdgvyfhjvb3r8nduzntb8aw1hz2uvanblz3xonwmvadiwlzg5mjg1odq1otc1mzqvqja2nziuanbnfdaxnja3ogjmotniyjnjztg5ymuwnjg1mmu5ngrhoduxzgm5mtgxnwu4njzkztzkngyyntkxmdrlyjjiztdimdm.jpeg)
CAS RN: 60583-39-3
Brucine Sulfate Heptahydrate [for Nitrate Analysis]
- Product code: SSC-169192
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
60583-39-3 / bis((4aR,5aS,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one);sulfuric acid;heptahydrate
Basic Information
CAS
60583-39-3
Multi CAS
Yes
Molecular Formula
C46H68N4O19S
Molecular Weight
1013.100000
Exact Mass
1012.419847
InChI
InChI=1S/2C23H26N2O4.H2O4S.7H2O/c2*1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;;;;;;;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t2*13-,18-,19-,21-,22-,23?;;;;;;;;/m00......../s1
InChIKey
PPJIVFYMRNHHTJ-UMRIXEKQSA-N
Computed Properties
Structural Parameters
Heavy atom count
70
Aromatic heavy atom count
12
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
2
Molar refractivity
252.5
TPSA
397.58
LogP / Solubility
WLOGP
-2.21
MLOGP
-1.84
XLogP3
-2.21
Consensus LogP
-2.09
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
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)
-10.47
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
