CAS RN: 73870-35-6
VILMORRIANINE C
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.20260111 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS73870-35-6
- Purity/Analytical Methods: >99.0%
73870-35-6 / [8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Basic Information
CAS
73870-35-6
Multi CAS
Yes
Molecular Formula
C35H49NO9
Molecular Weight
627.800000
Exact Mass
627.340732
InChI
InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22-,23-,24+,25+,26-,27?,28?,29+,30-,31?,33+,34-,35?/m1/s1
InChIKey
LYUPEIXJYAJCHL-ARLVVPKKSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
6
Fraction Csp3
0.77
Rotatable bonds
10
H-bond acceptors
10
Molar refractivity
162.78
TPSA
101.99
LogP / Solubility
WLOGP
3.6
MLOGP
3.22
XLogP3
3.3
Consensus LogP
3.37
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.93
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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