CAS RN: 2065228-61-5
Carmichaenine 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.20260625 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2065228-61-5
- Purity/Analytical Methods: >99.0%
2065228-61-5 / [11-ethyl-8,16,18-trihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Basic Information
CAS
2065228-61-5
Multi CAS
No
Molecular Formula
C30H41NO7
Molecular Weight
527.600000
Exact Mass
527.288303
SMILES
CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC(=O)C7=CC=CC=C7)OC)O)O)O)COC
InChI
InChI=1S/C30H41NO7/c1-4-31-14-28(15-36-2)11-10-20(32)30-18-12-17-19(37-3)13-29(35,22(26(30)31)23(33)25(28)30)21(18)24(17)38-27(34)16-8-6-5-7-9-16/h5-9,17-26,32-33,35H,4,10-15H2,1-3H3/t17-,18-,19+,20+,21-,22?,23+,24+,25-,26-,28+,29-,30+/m1/s1
InChIKey
DQTNVONSIQDYGN-APBCSOOVSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.77
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
3
Molar refractivity
137.1
TPSA
108.69
LogP / Solubility
WLOGP
1.71
MLOGP
1.55
XLogP3
1.6
Consensus LogP
1.62
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
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)
-4.72
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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