CAS RN: 122590-04-9
11-HydroxyhuMantenine
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.20260422 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS122590-04-9
- Purity/Analytical Methods: >99.0%
122590-04-9 / (7Z)-7-ethylidene-6'-hydroxy-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
Basic Information
CAS
122590-04-9
Multi CAS
No
Molecular Formula
C21H26N2O4
Molecular Weight
370.400000
Exact Mass
370.189257
SMILES
C/C=C/1\CN(C2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)O)N(C3=O)OC)C
InChI
InChI=1S/C21H26N2O4/c1-4-12-10-22(2)18-9-21(19-8-14(12)15(18)11-27-19)16-6-5-13(24)7-17(16)23(26-3)20(21)25/h4-7,14-15,18-19,24H,8-11H2,1-3H3
InChIKey
VYZFRSLZSBLYIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
100.41
TPSA
62.24
LogP / Solubility
WLOGP
2.22
MLOGP
1.98
XLogP3
1.4
Consensus LogP
1.87
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
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
Customers Also Viewed
-
4-Amino-4-phenyl-butyric acid hydrochloride
- CAS RN: 122602-44-2
- Product Code: starshine_CAS122602-44-2
- Purity/Analytical method: >99.0%
-
2,2′-bis(dibenzo[d,f][1,3,2]dioxaphosphepin-6-yloxy)-1,1′-biphenyl
- CAS RN: 122605-42-9
- Product Code: starshine_CAS122605-42-9
- Purity/Analytical method: >99.0%
-
Ajugamarin H1
- CAS RN: 122616-88-0
- Product Code: starshine_CAS122616-88-0
- Purity/Analytical method: >99.0%
-
-
tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate
- CAS RN: 122632-07-9
- Product Code: SSC-025710
-
![CAS 122605-42-9 2,2′-bis(dibenzo[d,f][1,3,2]dioxaphosphepin-6-yloxy)-1,1′-biphenyl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/122605-42-9.gif)
![CAS 122632-07-9 tert-butyl N-methyl-N-[4-(methylamino)butyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/122632-07-9.gif)
