CAS RN: 57568-80-6
PNU 37883 hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260323 | 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS57568-80-6
- Purity/Analytical Methods: >99.0%
57568-80-6 / N-(1-adamantyl)-N'-cyclohexylmorpholine-4-carboximidamide;hydrochloride
Basic Information
CAS
57568-80-6
Multi CAS
Yes
Molecular Formula
C21H36CLN3O
Molecular Weight
382.000000
Exact Mass
381.254691
InChI
InChI=1S/C21H35N3O.ClH/c1-2-4-19(5-3-1)22-20(24-6-8-25-9-7-24)23-21-13-16-10-17(14-21)12-18(11-16)15-21;/h16-19H,1-15H2,(H,22,23);1H
InChIKey
FZALCKUJYZCDOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.95
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
107.99
TPSA
36.86
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
3.99
Consensus LogP
3.84
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22
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
8
Customers Also Viewed
-
-
Cycloartane-3,24,25-triol
- CAS RN: 57576-29-1
- Product Code: starshine_CAS57576-29-1
- Purity/Analytical method: >99.0%
-
(3aS)-3a,4,5,6,6aβ,7,8,9,9aβ,9bα-Decahydro-8α-(β-D-glucopyranosyloxy)-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one
- CAS RN: 57576-33-7
- Product Code: starshine_CAS57576-33-7
- Purity/Analytical method: >99.0%
-
(2,4-Dihydroxyphenyl)acetonitrile
- CAS RN: 57576-34-8
- Product Code: starshine_CAS57576-34-8
- Purity/Analytical method: >99.0%
-
Norcepharadione B
- CAS RN: 57576-41-7
- Product Code: starshine_CAS57576-41-7
- Purity/Analytical method: >99.0%
-
Aclarubicin
- CAS RN: 57576-44-0
- Product Code: starshine_CAS57576-44-0
- Purity/Analytical method: >99.0%
![CAS 57576-33-7 (3aS)-3a,4,5,6,6aβ,7,8,9,9aβ,9bα-Decahydro-8α-(β-D-glucopyranosyloxy)-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57576-33-7.gif)
