CAS RN: 1211543-01-9
Rauvoyunine 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.20260406 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1211543-01-9
- Purity/Analytical Methods: >99.0%
1211543-01-9 / methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-5-methoxy-19-[(3,4,5-trimethoxybenzoyl)oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
Rauvoyunine C | FS-9489
Basic Information
CAS
1211543-01-9
Multi CAS
Yes
Molecular Formula
C32H36N2O9
Molecular Weight
592.600000
Exact Mass
592.242081
SMILES
C/C=C\1/CN2[C@H]3C[C@@H]1[C@@]([C@@]45[C@@]3(NC6=C4C=CC(=C6)OC)O[C@H]2C5)(COC(=O)C7=CC(=C(C(=C7)OC)OC)OC)C(=O)OC
InChI
InChI=1S/C32H36N2O9/c1-7-17-15-34-25-13-21(17)30(29(36)41-6,16-42-28(35)18-10-23(38-3)27(40-5)24(11-18)39-4)31-14-26(34)43-32(25,31)33-22-12-19(37-2)8-9-20(22)31/h7-12,21,25-26,33H,13-16H2,1-6H3/b17-7-/t21-,25+,26+,30?,31+,32+/m1/s1
InChIKey
RZNFSKHVXGHGNJ-YBXGCWPOSA-N
Synonyms
Rauvoyunine C
FS-9489
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
1
Molar refractivity
153.7
TPSA
114.02
LogP / Solubility
WLOGP
3.51
MLOGP
3.13
XLogP3
3.3
Consensus LogP
3.31
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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