CAS RN: 1414883-82-1
Rauvoyunine B
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.20250826 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1414883-82-1
- Purity/Analytical Methods: >99.0%
1414883-82-1 / methyl (1R,9S,11S,14E,15S,17S,19R)-19-(acetyloxymethyl)-14-ethylidene-5-hydroxy-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
Basic Information
CAS
1414883-82-1
Multi CAS
No
Molecular Formula
C23H26N2O6
Molecular Weight
426.500000
Exact Mass
426.179087
SMILES
C/C=C\1/CN2[C@H]3C[C@@H]1[C@@]([C@@]45[C@@]3(NC6=C4C=CC(=C6)O)O[C@H]2C5)(COC(=O)C)C(=O)OC
InChI
InChI=1S/C23H26N2O6/c1-4-13-10-25-18-8-16(13)21(20(28)29-3,11-30-12(2)26)22-9-19(25)31-23(18,22)24-17-7-14(27)5-6-15(17)22/h4-7,16,18-19,24,27H,8-11H2,1-3H3/b13-4-/t16-,18-,19-,21-,22-,23-/m0/s1
InChIKey
CLKVTWIYTILMIO-UFDFVOHESA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
2
Molar refractivity
109.07
TPSA
97.33
LogP / Solubility
WLOGP
1.88
MLOGP
1.69
XLogP3
1.4
Consensus LogP
1.66
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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