CAS RN: 2065228-62-6
Carmichaenine D
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.20250619 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2065228-62-6
- Purity/Analytical Methods: >99.0%
2065228-62-6 / [11-ethyl-8,16,18-trihydroxy-13-(hydroxymethyl)-6-methoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Basic Information
CAS
2065228-62-6
Multi CAS
No
Molecular Formula
C29H39NO7
Molecular Weight
513.600000
Exact Mass
513.272653
SMILES
CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC(=O)C7=CC=CC=C7)OC)O)O)O)CO
InChI
InChI=1S/C29H39NO7/c1-3-30-13-27(14-31)10-9-19(32)29-17-11-16-18(36-2)12-28(35,21(25(29)30)22(33)24(27)29)20(17)23(16)37-26(34)15-7-5-4-6-8-15/h4-8,16-25,31-33,35H,3,9-14H2,1-2H3
InChIKey
DGKLDJINLBMVKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.76
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
132.31
TPSA
119.69
LogP / Solubility
WLOGP
1.06
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.04
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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