CAS RN: 60048-88-6
N-Demethylechitamine
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.20250322 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS60048-88-6
- Purity/Analytical Methods: >99.0%
60048-88-6 / methyl (1S,9R,10S,12S,13E,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
Basic Information
CAS
60048-88-6
Multi CAS
Yes
Molecular Formula
C21H26N2O4
Molecular Weight
370.400000
Exact Mass
370.189257
InChI
InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)27-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3-/t15-,17-,19-,20-,21-/m0/s1
InChIKey
VZZBVNLFHYEUHM-CEYJTUKCSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
100.07
TPSA
82.03
LogP / Solubility
WLOGP
1.24
MLOGP
1.12
XLogP3
0.7
Consensus LogP
1.02
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-4.1
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
-
ethyl 4-hydroxy-2-(2-pyridinyl)-5-pyrimidinecarboxylate
- CAS RN: 60060-10-8
- Product Code: SSC-168640
-
-
-
-
-
